CID 82609047

En300-1858144

Structural Information

Molecular Formula
C13H16O2
SMILES
CC(C)C1=CC=CC=C1C2(CC2)C(=O)O
InChI
InChI=1S/C13H16O2/c1-9(2)10-5-3-4-6-11(10)13(7-8-13)12(14)15/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKey
GTZCRHSATCJENB-UHFFFAOYSA-N
Compound name
1-(2-propan-2-ylphenyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.11504 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.12232 143.2
[M+Na]+ 227.10426 151.8
[M-H]- 203.10776 149.8
[M+NH4]+ 222.14886 158.7
[M+K]+ 243.07820 149.5
[M+H-H2O]+ 187.11230 138.0
[M+HCOO]- 249.11324 163.9
[M+CH3COO]- 263.12889 188.0
[M+Na-2H]- 225.08971 147.6
[M]+ 204.11449 145.7
[M]- 204.11559 145.7
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.