CID 132342199

Rac-2-[(1r,2r)-2-benzylcyclopropyl]acetic acid

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]+ 191.106656 138.7
[M+Na]+ 213.088598 147.3
[M-H]- 189.092104 145.1
[M+NH4]+ 208.133203 153.0
[M+K]+ 229.062538 143.8
[M+H-H2O]+ 173.096640 132.4
[M+HCOO]- 235.097581 161.1
[M+CH3COO]- 249.113231 184.7
[M+Na-2H]- 211.074046 143.8
[M]+ 190.09883142 141.0
[M]- 190.09992858 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.