CID 48071

66827-32-5

Structural Information

Molecular Formula
C34H70N2
SMILES
CC1CCCC(C1CCC(C)[N+](C)(C)CCCC[N+](C)(C)C(C)CCC2C(CCCC2(C)C)C)(C)C
InChI
InChI=1S/C34H70N2/c1-27-17-15-23-33(5,6)31(27)21-19-29(3)35(9,10)25-13-14-26-36(11,12)30(4)20-22-32-28(2)18-16-24-34(32,7)8/h27-32H,13-26H2,1-12H3/q+2
InChIKey
UQSMRXNAIFTOKC-UHFFFAOYSA-N
Compound name
4-[dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azaniumyl]butyl-dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.5539 Da
Monoisotopic Mass

10.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.56118 225.4
[M+Na]+ 529.54312 222.2
[M-H]- 505.54662 230.7
[M+NH4]+ 524.58772 237.0
[M+K]+ 545.51706 208.9
[M+H-H2O]+ 489.55116 224.0
[M+HCOO]- 551.55210 233.2
[M+CH3COO]- 565.56775 250.8
[M+Na-2H]- 527.52857 224.6
[M]+ 506.55335 221.8
[M]- 506.55445 221.8
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.