CID 45791023

884091-56-9

Structural Information

Molecular Formula
C13H16O3
SMILES
CC1(CC1(C2=CC=C(C=C2)OC)C(=O)O)C
InChI
InChI=1S/C13H16O3/c1-12(2)8-13(12,11(14)15)9-4-6-10(16-3)7-5-9/h4-7H,8H2,1-3H3,(H,14,15)
InChIKey
GIRPVUVYVGNIEF-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

220.10994 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.11722 146.8
[M+Na]+ 243.09916 157.2
[M-H]- 219.10266 154.0
[M+NH4]+ 238.14376 163.9
[M+K]+ 259.07310 155.8
[M+H-H2O]+ 203.10720 142.8
[M+HCOO]- 265.10814 168.2
[M+CH3COO]- 279.12379 189.9
[M+Na-2H]- 241.08461 152.8
[M]+ 220.10939 152.3
[M]- 220.11049 152.3
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