CID 25218976
Ethyl 2-(4-isocyanatophenyl)acetate
Structural Information
- Molecular Formula
- C11H11NO3
- SMILES
- CCOC(=O)CC1=CC=C(C=C1)N=C=O
- InChI
- InChI=1S/C11H11NO3/c1-2-15-11(14)7-9-3-5-10(6-4-9)12-8-13/h3-6H,2,7H2,1H3
- InChIKey
- WJCNECDZVRTPNU-UHFFFAOYSA-N
- Compound name
- ethyl 2-(4-isocyanatophenyl)acetate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 206.08118 | 142.3 |
[M+Na]+ | 228.06312 | 150.0 |
[M-H]- | 204.06662 | 147.5 |
[M+NH4]+ | 223.10772 | 161.8 |
[M+K]+ | 244.03706 | 148.8 |
[M+H-H2O]+ | 188.07116 | 135.7 |
[M+HCOO]- | 250.07210 | 169.1 |
[M+CH3COO]- | 264.08775 | 188.9 |
[M+Na-2H]- | 226.04857 | 148.4 |
[M]+ | 205.07335 | 146.0 |
[M]- | 205.07445 | 146.0 |