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

251
Patents

116.04734 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.05462 121.7
[M+Na]+ 139.03656 131.2
[M-H]- 115.04006 124.3
[M+NH4]+ 134.08116 139.9
[M+K]+ 155.01050 129.9
[M+H-H2O]+ 99.044600 118.1
[M+HCOO]- 161.04554 142.7
[M+CH3COO]- 175.06119 166.8
[M+Na-2H]- 137.02201 128.8
[M]+ 116.04679 123.7
[M]- 116.04789 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