CID 57625593
1022251-72-4
Structural Information
- Molecular Formula
- C9H13ClN2
- SMILES
- CN(C)CC1=C(C=CC(=C1)Cl)N
- InChI
- InChI=1S/C9H13ClN2/c1-12(2)6-7-5-8(10)3-4-9(7)11/h3-5H,6,11H2,1-2H3
- InChIKey
- JIWHLTJWESKDBN-UHFFFAOYSA-N
- Compound name
- 4-chloro-2-[(dimethylamino)methyl]aniline
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 185.08400 | 139.4 |
[M+Na]+ | 207.06594 | 147.9 |
[M-H]- | 183.06944 | 144.2 |
[M+NH4]+ | 202.11054 | 160.5 |
[M+K]+ | 223.03988 | 144.9 |
[M+H-H2O]+ | 167.07398 | 134.2 |
[M+HCOO]- | 229.07492 | 161.3 |
[M+CH3COO]- | 243.09057 | 189.9 |
[M+Na-2H]- | 205.05139 | 144.3 |
[M]+ | 184.07617 | 140.8 |
[M]- | 184.07727 | 140.8 |
Literature stripe
No literature data available for this compound.