CID 21727314

142034-80-8

Structural Information

Molecular Formula

C₈H₁₅NO₃

SMILES

C1CC[C@@H]([C@H](C1)N)OCC(=O)O

InChI

InChI=1S/C8H15NO3/c9-6-3-1-2-4-7(6)12-5-8(10)11/h6-7H,1-5,9H2,(H,10,11)/t6-,7-/m0/s1

InChIKey

LFPQQJCEPUIYMG-BQBZGAKWSA-N

Compound name

2-[(1S,2S)-2-aminocyclohexyl]oxyacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 173.1052 Da
Monoisotopic Mass: -2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	174.112476	137.6
[M+Na]+	196.094418	141.9
[M-H]-	172.097924	138.6
[M+NH4]+	191.139023	156.3
[M+K]+	212.068358	141.0
[M+H-H2O]+	156.102460	131.9
[M+HCOO]-	218.103401	156.8
[M+CH3COO]-	232.119051	178.3
[M+Na-2H]-	194.079866	140.1
[M]+	173.10465142	132.5
[M]-	173.10574858	132.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe