CID 16789773

1-{[(propan-2-yl)carbamoyl]amino}cyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C11H20N2O3
SMILES
CC(C)NC(=O)NC1(CCCCC1)C(=O)O
InChI
InChI=1S/C11H20N2O3/c1-8(2)12-10(16)13-11(9(14)15)6-4-3-5-7-11/h8H,3-7H2,1-2H3,(H,14,15)(H2,12,13,16)
InChIKey
ZJOPUBAGSPCYMR-UHFFFAOYSA-N
Compound name
1-(propan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.1474 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.15468 153.8
[M+Na]+ 251.13662 155.8
[M-H]- 227.14012 154.7
[M+NH4]+ 246.18122 171.8
[M+K]+ 267.11056 155.4
[M+H-H2O]+ 211.14466 148.3
[M+HCOO]- 273.14560 171.8
[M+CH3COO]- 287.16125 191.3
[M+Na-2H]- 249.12207 155.6
[M]+ 228.14685 147.9
[M]- 228.14795 147.9
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.