CID 2736799
Methyl 4-amino-3-methylbenzoate
Structural Information
- Molecular Formula
- C9H11NO2
- SMILES
- CC1=C(C=CC(=C1)C(=O)OC)N
- InChI
- InChI=1S/C9H11NO2/c1-6-5-7(9(11)12-2)3-4-8(6)10/h3-5H,10H2,1-2H3
- InChIKey
- ZHIPSMIKSRYZFV-UHFFFAOYSA-N
- Compound name
- methyl 4-amino-3-methylbenzoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 166.08626 | 133.3 |
[M+Na]+ | 188.06820 | 141.9 |
[M-H]- | 164.07170 | 137.3 |
[M+NH4]+ | 183.11280 | 153.9 |
[M+K]+ | 204.04214 | 140.5 |
[M+H-H2O]+ | 148.07624 | 127.8 |
[M+HCOO]- | 210.07718 | 158.0 |
[M+CH3COO]- | 224.09283 | 181.1 |
[M+Na-2H]- | 186.05365 | 138.1 |
[M]+ | 165.07843 | 133.7 |
[M]- | 165.07953 | 133.7 |