CID 155943911

(1r,4r)-4-[(tert-butoxy)carbamoyl]cyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C12H21NO4
SMILES
CC(C)(C)ONC(=O)C1CCC(CC1)C(=O)O
InChI
InChI=1S/C12H21NO4/c1-12(2,3)17-13-10(14)8-4-6-9(7-5-8)11(15)16/h8-9H,4-7H2,1-3H3,(H,13,14)(H,15,16)
InChIKey
RCFMCAXROIFTGO-UHFFFAOYSA-N
Compound name
4-[(2-methylpropan-2-yl)oxycarbamoyl]cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.14706 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.15434 156.0
[M+Na]+ 266.13628 159.1
[M-H]- 242.13978 157.2
[M+NH4]+ 261.18088 172.2
[M+K]+ 282.11022 158.6
[M+H-H2O]+ 226.14432 150.4
[M+HCOO]- 288.14526 172.4
[M+CH3COO]- 302.16091 192.3
[M+Na-2H]- 264.12173 157.4
[M]+ 243.14651 152.9
[M]- 243.14761 152.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.