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

compound 2d structure
1
Annotation Hits

0
References

571
Patents

243.14706 Da
Monoisotopic Mass

2.1
XlogP (predicted)

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
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

patents stripe