CID 164182192

Rac-(1r,2r)-2-(2-cyanophenyl)cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C11H9NO2
SMILES
C1[C@H]([C@@H]1C(=O)O)C2=CC=CC=C2C#N
InChI
InChI=1S/C11H9NO2/c12-6-7-3-1-2-4-8(7)9-5-10(9)11(13)14/h1-4,9-10H,5H2,(H,13,14)/t9-,10+/m0/s1
InChIKey
YIXXBNRXORCRTG-VHSXEESVSA-N
Compound name
trans-(1R,2R)-2-(2-cyanophenyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.06332 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.070596 136.8
[M+Na]+ 210.052538 152.7
[M-H]- 186.056044 144.6
[M+NH4]+ 205.097143 151.6
[M+K]+ 226.026478 145.5
[M+H-H2O]+ 170.060580 127.3
[M+HCOO]- 232.061521 157.8
[M+CH3COO]- 246.077171 195.8
[M+Na-2H]- 208.037986 143.0
[M]+ 187.06277142 135.8
[M]- 187.06386858 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

No patent data available for this compound.