CID 25019431

3-(cyclopropylmethoxy)benzoic acid

Structural Information

Molecular Formula
C11H12O3
SMILES
C1CC1COC2=CC=CC(=C2)C(=O)O
InChI
InChI=1S/C11H12O3/c12-11(13)9-2-1-3-10(6-9)14-7-8-4-5-8/h1-3,6,8H,4-5,7H2,(H,12,13)
InChIKey
WKMIJKYUMSWZGZ-UHFFFAOYSA-N
Compound name
3-(cyclopropylmethoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

192.07864 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08592 142.8
[M+Na]+ 215.06786 156.1
[M+NH4]+ 210.11246 151.3
[M+K]+ 231.04180 151.8
[M-H]- 191.07136 152.0
[M+Na-2H]- 213.05331 152.0
[M]+ 192.07809 148.3
[M]- 192.07919 148.3
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