CID 3064226
4-methylpentane-1,2-diamine
Structural Information
- Molecular Formula
- C6H16N2
- SMILES
- CC(C)CC(CN)N
- InChI
- InChI=1S/C6H16N2/c1-5(2)3-6(8)4-7/h5-6H,3-4,7-8H2,1-2H3
- InChIKey
- LGNSOKKCXYBTOL-UHFFFAOYSA-N
- Compound name
- 4-methylpentane-1,2-diamine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 117.13863 | 129.2 |
[M+Na]+ | 139.12057 | 134.2 |
[M-H]- | 115.12407 | 128.5 |
[M+NH4]+ | 134.16517 | 150.7 |
[M+K]+ | 155.09451 | 134.2 |
[M+H-H2O]+ | 99.128610 | 124.1 |
[M+HCOO]- | 161.12955 | 151.7 |
[M+CH3COO]- | 175.14520 | 177.2 |
[M+Na-2H]- | 137.10602 | 131.8 |
[M]+ | 116.13080 | 125.4 |
[M]- | 116.13190 | 125.4 |