CID 72222654

3-cyclopropoxybenzoic acid

Structural Information

Molecular Formula
C10H10O3
SMILES
C1CC1OC2=CC=CC(=C2)C(=O)O
InChI
InChI=1S/C10H10O3/c11-10(12)7-2-1-3-9(6-7)13-8-4-5-8/h1-3,6,8H,4-5H2,(H,11,12)
InChIKey
KGBBMUBEMSGDMM-UHFFFAOYSA-N
Compound name
3-cyclopropyloxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.06299 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.07027 133.9
[M+Na]+ 201.05221 143.3
[M-H]- 177.05571 140.6
[M+NH4]+ 196.09681 148.5
[M+K]+ 217.02615 140.6
[M+H-H2O]+ 161.06025 127.8
[M+HCOO]- 223.06119 157.1
[M+CH3COO]- 237.07684 180.9
[M+Na-2H]- 199.03766 139.9
[M]+ 178.06244 136.9
[M]- 178.06354 136.9
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

No patent data available for this compound.