CID 3016174
1-chloroethyl pivalate
Structural Information
- Molecular Formula
- C7H13ClO2
- SMILES
- CC(OC(=O)C(C)(C)C)Cl
- InChI
- InChI=1S/C7H13ClO2/c1-5(8)10-6(9)7(2,3)4/h5H,1-4H3
- InChIKey
- VQEZDLXEVJCRMO-UHFFFAOYSA-N
- Compound name
- 1-chloroethyl 2,2-dimethylpropanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 165.06769 | 132.4 |
[M+Na]+ | 187.04963 | 140.6 |
[M-H]- | 163.05313 | 133.2 |
[M+NH4]+ | 182.09423 | 154.5 |
[M+K]+ | 203.02357 | 139.6 |
[M+H-H2O]+ | 147.05767 | 129.7 |
[M+HCOO]- | 209.05861 | 148.8 |
[M+CH3COO]- | 223.07426 | 177.8 |
[M+Na-2H]- | 185.03508 | 137.1 |
[M]+ | 164.05986 | 136.3 |
[M]- | 164.06096 | 136.3 |