CID 28728247
3-[(3-methylbutyl)amino]propanenitrile
Structural Information
- Molecular Formula
- C8H16N2
- SMILES
- CC(C)CCNCCC#N
- InChI
- InChI=1S/C8H16N2/c1-8(2)4-7-10-6-3-5-9/h8,10H,3-4,6-7H2,1-2H3
- InChIKey
- BHLQPHRYYFPHQJ-UHFFFAOYSA-N
- Compound name
- 3-(3-methylbutylamino)propanenitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 141.13863 | 131.6 |
[M+Na]+ | 163.12057 | 138.8 |
[M-H]- | 139.12407 | 132.2 |
[M+NH4]+ | 158.16517 | 151.0 |
[M+K]+ | 179.09451 | 138.4 |
[M+H-H2O]+ | 123.12861 | 120.0 |
[M+HCOO]- | 185.12955 | 151.4 |
[M+CH3COO]- | 199.14520 | 192.6 |
[M+Na-2H]- | 161.10602 | 136.7 |
[M]+ | 140.13080 | 127.3 |
[M]- | 140.13190 | 127.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.