CID 72223597

3-cyclopropoxy-4-methylbenzoic acid

Structural Information

Molecular Formula
C11H12O3
SMILES
CC1=C(C=C(C=C1)C(=O)O)OC2CC2
InChI
InChI=1S/C11H12O3/c1-7-2-3-8(11(12)13)6-10(7)14-9-4-5-9/h2-3,6,9H,4-5H2,1H3,(H,12,13)
InChIKey
CIPVZXOISJDNJR-UHFFFAOYSA-N
Compound name
3-cyclopropyloxy-4-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
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 137.7
[M+Na]+ 215.067858 147.4
[M-H]- 191.071364 144.5
[M+NH4]+ 210.112463 152.0
[M+K]+ 231.041798 144.5
[M+H-H2O]+ 175.075900 131.6
[M+HCOO]- 237.076841 160.4
[M+CH3COO]- 251.092491 184.9
[M+Na-2H]- 213.053306 142.5
[M]+ 192.07809142 141.4
[M]- 192.07918858 141.4
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