CID 2794744
1-[(tert-butoxycarbonyl)amino]cyclohexanecarboxylic acid
Structural Information
- Molecular Formula
- C12H21NO4
- SMILES
- CC(C)(C)OC(=O)NC1(CCCCC1)C(=O)O
- InChI
- InChI=1S/C12H21NO4/c1-11(2,3)17-10(16)13-12(9(14)15)7-5-4-6-8-12/h4-8H2,1-3H3,(H,13,16)(H,14,15)
- InChIKey
- URBHKVWOYIMKNO-UHFFFAOYSA-N
- Compound name
- 1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 244.15434 | 156.4 |
[M+Na]+ | 266.13628 | 159.6 |
[M-H]- | 242.13978 | 157.5 |
[M+NH4]+ | 261.18088 | 174.5 |
[M+K]+ | 282.11022 | 159.5 |
[M+H-H2O]+ | 226.14432 | 151.8 |
[M+HCOO]- | 288.14526 | 172.8 |
[M+CH3COO]- | 302.16091 | 189.9 |
[M+Na-2H]- | 264.12173 | 159.8 |
[M]+ | 243.14651 | 153.3 |
[M]- | 243.14761 | 153.3 |
Literature stripe
No literature data available for this compound.