CID 90021564

4-cyclopropyl-3-formylbenzoic acid

Structural Information

Molecular Formula
C11H10O3
SMILES
C1CC1C2=C(C=C(C=C2)C(=O)O)C=O
InChI
InChI=1S/C11H10O3/c12-6-9-5-8(11(13)14)3-4-10(9)7-1-2-7/h3-7H,1-2H2,(H,13,14)
InChIKey
GSYLBFQIZGZEQL-UHFFFAOYSA-N
Compound name
4-cyclopropyl-3-formylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

190.06299 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.07027 141.6
[M+Na]+ 213.05221 155.3
[M+NH4]+ 208.09681 149.8
[M+K]+ 229.02615 151.1
[M-H]- 189.05571 150.6
[M+Na-2H]- 211.03766 150.4
[M]+ 190.06244 147.0
[M]- 190.06354 147.0
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