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

47
Patents

114.03169 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.03897 124.6
[M+Na]+ 137.02091 136.0
[M+NH4]+ 132.06551 133.9
[M+K]+ 152.99485 131.7
[M-H]- 113.02441 131.1
[M+Na-2H]- 135.00636 132.7
[M]+ 114.03114 129.1
[M]- 114.03224 129.1
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