CID 14955528

2-(cyclopropylmethoxy)benzoic acid

Structural Information

Molecular Formula
C11H12O3
SMILES
C1CC1COC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C11H12O3/c12-11(13)9-3-1-2-4-10(9)14-7-8-5-6-8/h1-4,8H,5-7H2,(H,12,13)
InChIKey
NZFRVQDXLBTTLZ-UHFFFAOYSA-N
Compound name
2-(cyclopropylmethoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

192.07864 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08592 138.2
[M+Na]+ 215.06786 147.1
[M-H]- 191.07136 144.7
[M+NH4]+ 210.11246 152.3
[M+K]+ 231.04180 144.2
[M+H-H2O]+ 175.07590 131.9
[M+HCOO]- 237.07684 161.1
[M+CH3COO]- 251.09249 183.8
[M+Na-2H]- 213.05331 143.7
[M]+ 192.07809 141.6
[M]- 192.07919 141.6
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