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]+ 293.295116 168.9
[M+Na]+ 315.277058 173.1
[M-H]- 291.280564 168.2
[M+NH4]+ 310.321663 195.2
[M+K]+ 331.250998 158.7
[M+H-H2O]+ 275.285100 167.1
[M+HCOO]- 337.286041 177.6
[M+CH3COO]- 351.301691 202.8
[M+Na-2H]- 313.262506 182.0
[M]+ 292.28729142 169.1
[M]- 292.28838858 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.