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]+ 188.128126 142.5
[M+Na]+ 210.110068 146.1
[M-H]- 186.113574 143.4
[M+NH4]+ 205.154673 160.6
[M+K]+ 226.084008 145.5
[M+H-H2O]+ 170.118110 136.8
[M+HCOO]- 232.119051 160.4
[M+CH3COO]- 246.134701 182.3
[M+Na-2H]- 208.095516 143.3
[M]+ 187.12030142 137.2
[M]- 187.12139858 137.2
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.