CID 4246121

A-amino-4-methoxy-cyclohexaneacetic acid

Structural Information

Molecular Formula
C9H17NO3
SMILES
COC1CCC(CC1)C(C(=O)O)N
InChI
InChI=1S/C9H17NO3/c1-13-7-4-2-6(3-5-7)8(10)9(11)12/h6-8H,2-5,10H2,1H3,(H,11,12)
InChIKey
WKWMOKYDSJYHGK-UHFFFAOYSA-N
Compound name
2-amino-2-(4-methoxycyclohexyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.12085 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.12813 142.0
[M+Na]+ 210.11007 149.3
[M+NH4]+ 205.15467 148.7
[M+K]+ 226.08401 146.1
[M-H]- 186.11357 142.1
[M+Na-2H]- 208.09552 144.1
[M]+ 187.12030 142.5
[M]- 187.12140 142.5
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.