CID 51495

72017-50-6

Structural Information

Molecular Formula
C32H62N2
SMILES
CC1=C(C(CCC1)(C)C)CCC(C)[N+](C)(C)CC[N+](C)(C)C(C)CCC2=C(CCCC2(C)C)C
InChI
InChI=1S/C32H62N2/c1-25-15-13-21-31(5,6)29(25)19-17-27(3)33(9,10)23-24-34(11,12)28(4)18-20-30-26(2)16-14-22-32(30,7)8/h27-28H,13-24H2,1-12H3/q+2
InChIKey
DYVVOLZHOQSXOY-UHFFFAOYSA-N
Compound name
2-[dimethyl-[4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-yl]azaniumyl]ethyl-dimethyl-[4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-yl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.4913 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.49858 215.6
[M+Na]+ 497.48052 215.1
[M-H]- 473.48402 222.3
[M+NH4]+ 492.52512 228.7
[M+K]+ 513.45446 201.9
[M+H-H2O]+ 457.48856 214.2
[M+HCOO]- 519.48950 227.0
[M+CH3COO]- 533.50515 244.3
[M+Na-2H]- 495.46597 217.4
[M]+ 474.49075 214.2
[M]- 474.49185 214.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.