CID 12418155
1-tert-butylcyclopentane-1-carboxylic acid
Structural Information
- Molecular Formula
- C10H18O2
- SMILES
- CC(C)(C)C1(CCCC1)C(=O)O
- InChI
- InChI=1S/C10H18O2/c1-9(2,3)10(8(11)12)6-4-5-7-10/h4-7H2,1-3H3,(H,11,12)
- InChIKey
- MCNBSOUNKZZLBI-UHFFFAOYSA-N
- Compound name
- 1-tert-butylcyclopentane-1-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 171.13796 | 140.2 |
[M+Na]+ | 193.11990 | 146.0 |
[M-H]- | 169.12340 | 142.1 |
[M+NH4]+ | 188.16450 | 163.6 |
[M+K]+ | 209.09384 | 145.1 |
[M+H-H2O]+ | 153.12794 | 136.8 |
[M+HCOO]- | 215.12888 | 158.8 |
[M+CH3COO]- | 229.14453 | 175.7 |
[M+Na-2H]- | 191.10535 | 144.0 |
[M]+ | 170.13013 | 137.7 |
[M]- | 170.13123 | 137.7 |