CID 122399
29504-89-0
Structural Information
- Molecular Formula
- C11H22N2
- SMILES
- CCCCCCCCNCCC#N
- InChI
- InChI=1S/C11H22N2/c1-2-3-4-5-6-7-10-13-11-8-9-12/h13H,2-8,10-11H2,1H3
- InChIKey
- AFXXFNVAHYRPIZ-UHFFFAOYSA-N
- Compound name
- 3-(octylamino)propanenitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 183.18558 | 141.4 |
[M+Na]+ | 205.16752 | 147.8 |
[M-H]- | 181.17102 | 141.4 |
[M+NH4]+ | 200.21212 | 159.4 |
[M+K]+ | 221.14146 | 146.2 |
[M+H-H2O]+ | 165.17556 | 129.3 |
[M+HCOO]- | 227.17650 | 161.3 |
[M+CH3COO]- | 241.19215 | 200.0 |
[M+Na-2H]- | 203.15297 | 146.4 |
[M]+ | 182.17775 | 138.8 |
[M]- | 182.17885 | 138.8 |
Literature stripe
No literature data available for this compound.