CID 39057980

1218412-54-4

Structural Information

Molecular Formula
C13H16O2
SMILES
CC(C)C1=CC=C(C=C1)[C@@H]2C[C@H]2C(=O)O
InChI
InChI=1S/C13H16O2/c1-8(2)9-3-5-10(6-4-9)11-7-12(11)13(14)15/h3-6,8,11-12H,7H2,1-2H3,(H,14,15)/t11-,12+/m0/s1
InChIKey
NOGUBTGKXFAAGO-NWDGAFQWSA-N
Compound name
(1R,2R)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

204.11504 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.12232 146.4
[M+Na]+ 227.10426 159.8
[M+NH4]+ 222.14886 155.1
[M+K]+ 243.07820 155.7
[M-H]- 203.10776 155.9
[M+Na-2H]- 225.08971 155.1
[M]+ 204.11449 152.1
[M]- 204.11559 152.1
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.