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

14
Patents

199.12085 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.128126 145.8
[M+Na]+ 222.110068 148.4
[M-H]- 198.113574 146.7
[M+NH4]+ 217.154673 163.4
[M+K]+ 238.084008 147.3
[M+H-H2O]+ 182.118110 139.7
[M+HCOO]- 244.119051 164.2
[M+CH3COO]- 258.134701 183.2
[M+Na-2H]- 220.095516 147.8
[M]+ 199.12030142 140.7
[M]- 199.12139858 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