CID 21201084

2-(2-cyclohexylacetamido)acetic acid

Structural Information

Molecular Formula
C10H17NO3
SMILES
C1CCC(CC1)CC(=O)NCC(=O)O
InChI
InChI=1S/C10H17NO3/c12-9(11-7-10(13)14)6-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,12)(H,13,14)
InChIKey
VDNMXWRIILTOEY-UHFFFAOYSA-N
Compound name
2-[(2-cyclohexylacetyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

199.12085 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.12813 145.8
[M+Na]+ 222.11007 148.4
[M-H]- 198.11357 146.7
[M+NH4]+ 217.15467 163.4
[M+K]+ 238.08401 147.3
[M+H-H2O]+ 182.11811 139.7
[M+HCOO]- 244.11905 164.2
[M+CH3COO]- 258.13470 183.2
[M+Na-2H]- 220.09552 147.8
[M]+ 199.12030 140.7
[M]- 199.12140 140.7
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