CID 2757644
7569-60-0
Structural Information
- Molecular Formula
- C9H12ClNO
- SMILES
- COC1=C(C=C(C=C1)CCN)Cl
- InChI
- InChI=1S/C9H12ClNO/c1-12-9-3-2-7(4-5-11)6-8(9)10/h2-3,6H,4-5,11H2,1H3
- InChIKey
- RRYLJVQKSZWVQA-UHFFFAOYSA-N
- Compound name
- 2-(3-chloro-4-methoxyphenyl)ethanamine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 186.06803 | 136.4 |
[M+Na]+ | 208.04997 | 150.0 |
[M+NH4]+ | 203.09457 | 145.7 |
[M+K]+ | 224.02391 | 142.6 |
[M-H]- | 184.05347 | 139.5 |
[M+Na-2H]- | 206.03542 | 143.7 |
[M]+ | 185.06020 | 139.5 |
[M]- | 185.06130 | 139.5 |