CID 13007951
4-(4-methyl-1,4-diazepan-1-yl)aniline
Structural Information
- Molecular Formula
- C12H19N3
- SMILES
- CN1CCCN(CC1)C2=CC=C(C=C2)N
- InChI
- InChI=1S/C12H19N3/c1-14-7-2-8-15(10-9-14)12-5-3-11(13)4-6-12/h3-6H,2,7-10,13H2,1H3
- InChIKey
- FMLOSYIZNDLWOM-UHFFFAOYSA-N
- Compound name
- 4-(4-methyl-1,4-diazepan-1-yl)aniline
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 206.16518 | 146.4 |
[M+Na]+ | 228.14712 | 150.5 |
[M-H]- | 204.15062 | 150.4 |
[M+NH4]+ | 223.19172 | 161.0 |
[M+K]+ | 244.12106 | 151.7 |
[M+H-H2O]+ | 188.15516 | 137.5 |
[M+HCOO]- | 250.15610 | 164.3 |
[M+CH3COO]- | 264.17175 | 156.9 |
[M+Na-2H]- | 226.13257 | 150.2 |
[M]+ | 205.15735 | 137.8 |
[M]- | 205.15845 | 137.8 |