CID 21912788

1-formylcyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C5H6O3
SMILES
C1CC1(C=O)C(=O)O
InChI
InChI=1S/C5H6O3/c6-3-5(1-2-5)4(7)8/h3H,1-2H2,(H,7,8)
InChIKey
SFDXJGBNXVTWEB-UHFFFAOYSA-N
Compound name
1-formylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

114.03169 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.038966 121.3
[M+Na]+ 137.020908 131.4
[M-H]- 113.024414 125.3
[M+NH4]+ 132.065513 140.1
[M+K]+ 152.994848 130.5
[M+H-H2O]+ 97.028950 117.5
[M+HCOO]- 159.029891 143.9
[M+CH3COO]- 173.045541 168.4
[M+Na-2H]- 135.006356 128.8
[M]+ 114.03114142 124.3
[M]- 114.03223858 124.3
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