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]+ 244.154336 156.0
[M+Na]+ 266.136278 159.1
[M-H]- 242.139784 157.2
[M+NH4]+ 261.180883 172.2
[M+K]+ 282.110218 158.6
[M+H-H2O]+ 226.144320 150.4
[M+HCOO]- 288.145261 172.4
[M+CH3COO]- 302.160911 192.3
[M+Na-2H]- 264.121726 157.4
[M]+ 243.14651142 152.9
[M]- 243.14760858 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.