CID 252490

Rac-(1r,2r)-2-phenylcyclopropane-1-carbonitrile

Structural Information

Molecular Formula
C10H9N
SMILES
C1[C@H]([C@@H]1C2=CC=CC=C2)C#N
InChI
InChI=1S/C10H9N/c11-7-9-6-10(9)8-4-2-1-3-5-8/h1-5,9-10H,6H2/t9-,10-/m0/s1
InChIKey
KUCVFITUDJTMFA-UWVGGRQHSA-N
Compound name
(1R,2R)-2-phenylcyclopropane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

143.0735 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.08078 126.3
[M+Na]+ 166.06272 142.3
[M-H]- 142.06622 135.0
[M+NH4]+ 161.10732 143.2
[M+K]+ 182.03666 135.6
[M+H-H2O]+ 126.07076 116.5
[M+HCOO]- 188.07170 149.3
[M+CH3COO]- 202.08735 191.1
[M+Na-2H]- 164.04817 135.2
[M]+ 143.07295 124.8
[M]- 143.07405 124.8
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