CID 11829403

49640-66-6

Structural Information

Molecular Formula
C5H8O3
SMILES
C1CC1(CO)C(=O)O
InChI
InChI=1S/C5H8O3/c6-3-5(1-2-5)4(7)8/h6H,1-3H2,(H,7,8)
InChIKey
TYFMINBPAYVYCW-UHFFFAOYSA-N
Compound name
1-(hydroxymethyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

219
Patents

116.04734 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.054616 121.7
[M+Na]+ 139.036558 131.2
[M-H]- 115.040064 124.3
[M+NH4]+ 134.081163 139.9
[M+K]+ 155.010498 129.9
[M+H-H2O]+ 99.044600 118.1
[M+HCOO]- 161.045541 142.7
[M+CH3COO]- 175.061191 166.8
[M+Na-2H]- 137.022006 128.8
[M]+ 116.04679142 123.7
[M]- 116.04788858 123.7
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