CID 132342199

2138272-78-1

Structural Information

Molecular Formula
C12H14O2
SMILES
C1[C@H]([C@@H]1CC(=O)O)CC2=CC=CC=C2
InChI
InChI=1S/C12H14O2/c13-12(14)8-11-7-10(11)6-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,13,14)/t10-,11+/m1/s1
InChIKey
KTDHPPIRNPDLLC-MNOVXSKESA-N
Compound name
2-[(1S,2S)-2-benzylcyclopropyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.09938 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.10666 138.7
[M+Na]+ 213.08860 147.3
[M-H]- 189.09210 145.1
[M+NH4]+ 208.13320 153.0
[M+K]+ 229.06254 143.8
[M+H-H2O]+ 173.09664 132.4
[M+HCOO]- 235.09758 161.1
[M+CH3COO]- 249.11323 184.7
[M+Na-2H]- 211.07405 143.8
[M]+ 190.09883 141.0
[M]- 190.09993 141.0
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.