CID 16789773

954278-81-0

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]+ 229.154676 153.8
[M+Na]+ 251.136618 155.8
[M-H]- 227.140124 154.7
[M+NH4]+ 246.181223 171.8
[M+K]+ 267.110558 155.4
[M+H-H2O]+ 211.144660 148.3
[M+HCOO]- 273.145601 171.8
[M+CH3COO]- 287.161251 191.3
[M+Na-2H]- 249.122066 155.6
[M]+ 228.14685142 147.9
[M]- 228.14794858 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.