CID 665664

99189-60-3

Structural Information

Molecular Formula
C10H17NO3
SMILES
C1CCC(CC1)(CC(=O)N)CC(=O)O
InChI
InChI=1S/C10H17NO3/c11-8(12)6-10(7-9(13)14)4-2-1-3-5-10/h1-7H2,(H2,11,12)(H,13,14)
InChIKey
QJGSJXLCJRXTRY-UHFFFAOYSA-N
Compound name
2-[1-(2-amino-2-oxoethyl)cyclohexyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

116
Patents

199.12085 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.12813 146.1
[M+Na]+ 222.11007 149.6
[M-H]- 198.11357 146.7
[M+NH4]+ 217.15467 165.3
[M+K]+ 238.08401 148.3
[M+H-H2O]+ 182.11811 141.1
[M+HCOO]- 244.11905 163.8
[M+CH3COO]- 258.13470 182.8
[M+Na-2H]- 220.09552 148.2
[M]+ 199.12030 140.4
[M]- 199.12140 140.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe