CID 90197336

1613519-81-5

Structural Information

Molecular Formula
C11H12O2
SMILES
C[C@@]1(C[C@@H]1C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C11H12O2/c1-11(10(12)13)7-9(11)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,12,13)/t9-,11+/m1/s1
InChIKey
UXLNWWCUHTZUTE-KOLCDFICSA-N
Compound name
(1S,2R)-1-methyl-2-phenylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

176.08372 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.09100 140.8
[M+Na]+ 199.07294 154.8
[M+NH4]+ 194.11754 151.3
[M+K]+ 215.04688 148.4
[M-H]- 175.07644 150.7
[M+Na-2H]- 197.05839 151.9
[M]+ 176.08317 146.9
[M]- 176.08427 146.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe