CID 11252055

2-formylcyclopent-2-ene-1-carboxylic acid

Structural Information

Molecular Formula
C7H8O3
SMILES
C1CC(C(=C1)C=O)C(=O)O
InChI
InChI=1S/C7H8O3/c8-4-5-2-1-3-6(5)7(9)10/h2,4,6H,1,3H2,(H,9,10)
InChIKey
QMMOUMUWLXVWRW-UHFFFAOYSA-N
Compound name
2-formylcyclopent-2-ene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

140.04735 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.054626 126.4
[M+Na]+ 163.036568 134.2
[M-H]- 139.040074 128.8
[M+NH4]+ 158.081173 149.0
[M+K]+ 179.010508 133.0
[M+H-H2O]+ 123.044610 121.8
[M+HCOO]- 185.045551 149.4
[M+CH3COO]- 199.061201 169.3
[M+Na-2H]- 161.022016 130.0
[M]+ 140.04680142 125.5
[M]- 140.04789858 125.5
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