CID 30176
Diethylcarbamic acid 2-chloroethyl ester
Structural Information
- Molecular Formula
- C7H14ClNO2
- SMILES
- CCN(CC)C(=O)OCCCl
- InChI
- InChI=1S/C7H14ClNO2/c1-3-9(4-2)7(10)11-6-5-8/h3-6H2,1-2H3
- InChIKey
- PTINMKIBBSJQMM-UHFFFAOYSA-N
- Compound name
- 2-chloroethyl N,N-diethylcarbamate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 180.07858 | 138.3 |
[M+Na]+ | 202.06052 | 145.5 |
[M-H]- | 178.06402 | 140.0 |
[M+NH4]+ | 197.10512 | 159.9 |
[M+K]+ | 218.03446 | 144.9 |
[M+H-H2O]+ | 162.06856 | 134.1 |
[M+HCOO]- | 224.06950 | 158.6 |
[M+CH3COO]- | 238.08515 | 184.9 |
[M+Na-2H]- | 200.04597 | 142.7 |
[M]+ | 179.07075 | 143.7 |
[M]- | 179.07185 | 143.7 |
Literature stripe
No literature data available for this compound.