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

72
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 121.3
[M+Na]+ 137.02091 131.4
[M-H]- 113.02441 125.3
[M+NH4]+ 132.06551 140.1
[M+K]+ 152.99485 130.5
[M+H-H2O]+ 97.028950 117.5
[M+HCOO]- 159.02989 143.9
[M+CH3COO]- 173.04554 168.4
[M+Na-2H]- 135.00636 128.8
[M]+ 114.03114 124.3
[M]- 114.03224 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