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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.11248 137.6
[M+Na]+ 196.09442 141.9
[M-H]- 172.09792 138.6
[M+NH4]+ 191.13902 156.3
[M+K]+ 212.06836 141.0
[M+H-H2O]+ 156.10246 131.9
[M+HCOO]- 218.10340 156.8
[M+CH3COO]- 232.11905 178.3
[M+Na-2H]- 194.07987 140.1
[M]+ 173.10465 132.5
[M]- 173.10575 132.5
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

patents stripe