CID 10654204

2361639-90-7

Structural Information

Molecular Formula
C5H8O3
SMILES
C1[C@H]([C@H]1C(=O)O)CO
InChI
InChI=1S/C5H8O3/c6-2-3-1-4(3)5(7)8/h3-4,6H,1-2H2,(H,7,8)/t3-,4-/m0/s1
InChIKey
QAKGVPAQOZSDOZ-IMJSIDKUSA-N
Compound name
trans-(1S,2R)-2-(hydroxymethyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

116.04734 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.054616 120.0
[M+Na]+ 139.036558 129.7
[M-H]- 115.040064 122.6
[M+NH4]+ 134.081163 136.6
[M+K]+ 155.010498 127.4
[M+H-H2O]+ 99.044600 115.3
[M+HCOO]- 161.045541 141.4
[M+CH3COO]- 175.061191 168.4
[M+Na-2H]- 137.022006 125.4
[M]+ 116.04679142 121.9
[M]- 116.04788858 121.9
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