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

72
Patents

192.07864 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.085916 138.2
[M+Na]+ 215.067858 147.1
[M-H]- 191.071364 144.7
[M+NH4]+ 210.112463 152.3
[M+K]+ 231.041798 144.2
[M+H-H2O]+ 175.075900 131.9
[M+HCOO]- 237.076841 161.1
[M+CH3COO]- 251.092491 183.8
[M+Na-2H]- 213.053306 143.7
[M]+ 192.07809142 141.6
[M]- 192.07918858 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