CID 48631
66967-68-8
Structural Information
- Molecular Formula
- C37H72N2
- SMILES
- CC1=C(C(CCC1)(C)C)CCC(C)[N+](C)(C)CCCCCCC[N+](C)(C)C(C)CCC2=C(CCCC2(C)C)C
- InChI
- InChI=1S/C37H72N2/c1-30-20-18-26-36(5,6)34(30)24-22-32(3)38(9,10)28-16-14-13-15-17-29-39(11,12)33(4)23-25-35-31(2)21-19-27-37(35,7)8/h32-33H,13-29H2,1-12H3/q+2
- InChIKey
- KHQMOPALWQMCAZ-UHFFFAOYSA-N
- Compound name
- 7-[dimethyl-[4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-yl]azaniumyl]heptyl-dimethyl-[4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-yl]azanium
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 545.57688 | 237.7 |
[M+Na]+ | 567.55882 | 235.0 |
[M-H]- | 543.56232 | 243.1 |
[M+NH4]+ | 562.60342 | 247.8 |
[M+K]+ | 583.53276 | 220.7 |
[M+H-H2O]+ | 527.56686 | 235.3 |
[M+HCOO]- | 589.56780 | 247.2 |
[M+CH3COO]- | 603.58345 | 258.5 |
[M+Na-2H]- | 565.54427 | 237.0 |
[M]+ | 544.56905 | 237.9 |
[M]- | 544.57015 | 237.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.