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 154.2
[M+Na]+ 251.13662 159.5
[M+NH4]+ 246.18122 161.2
[M+K]+ 267.11056 154.9
[M-H]- 227.14012 154.0
[M+Na-2H]- 249.12207 157.3
[M]+ 228.14685 154.3
[M]- 228.14795 154.3
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

No patent data available for this compound.