CID 69690085

705250-93-7

Structural Information

Molecular Formula
C11H9NO2
SMILES
C1[C@H]([C@@H]1C(=O)O)C2=CC=CC(=C2)C#N
InChI
InChI=1S/C11H9NO2/c12-6-7-2-1-3-8(4-7)9-5-10(9)11(13)14/h1-4,9-10H,5H2,(H,13,14)/t9-,10+/m0/s1
InChIKey
JEPNFLRZCVLACW-VHSXEESVSA-N
Compound name
(1R,2R)-2-(3-cyanophenyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

187.06332 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.07060 136.8
[M+Na]+ 210.05254 152.7
[M-H]- 186.05604 144.6
[M+NH4]+ 205.09714 151.6
[M+K]+ 226.02648 145.5
[M+H-H2O]+ 170.06058 127.3
[M+HCOO]- 232.06152 157.8
[M+CH3COO]- 246.07717 195.8
[M+Na-2H]- 208.03799 143.0
[M]+ 187.06277 135.8
[M]- 187.06387 135.8
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

patents stripe