CID 203223

14043-81-3

Structural Information

Molecular Formula
C19H36N2
SMILES
CC12CCC(C=C1)(C3C2C[N+](C3)(C)CCC[N+](C)(C)C)C
InChI
InChI=1S/C19H36N2/c1-18-8-10-19(2,11-9-18)17-15-21(6,14-16(17)18)13-7-12-20(3,4)5/h8,10,16-17H,7,9,11-15H2,1-6H3/q+2
InChIKey
DJUBYOKXOLJAMQ-UHFFFAOYSA-N
Compound name
trimethyl-[3-(1,4,7-trimethyl-4-azoniatricyclo[5.2.2.02,6]undec-8-en-4-yl)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.28784 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.29512 168.9
[M+Na]+ 315.27706 173.1
[M-H]- 291.28056 168.2
[M+NH4]+ 310.32166 195.2
[M+K]+ 331.25100 158.7
[M+H-H2O]+ 275.28510 167.1
[M+HCOO]- 337.28604 177.6
[M+CH3COO]- 351.30169 202.8
[M+Na-2H]- 313.26251 182.0
[M]+ 292.28729 169.1
[M]- 292.28839 169.1
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.