CID 97178807

Rac-2-[(1r,2s)-2-phenylcyclopropyl]acetonitrile

Structural Information

Molecular Formula
C11H11N
SMILES
C1[C@H]([C@@H]1C2=CC=CC=C2)CC#N
InChI
InChI=1S/C11H11N/c12-7-6-10-8-11(10)9-4-2-1-3-5-9/h1-5,10-11H,6,8H2/t10-,11+/m1/s1
InChIKey
PIGHKMGUJVDMEM-MNOVXSKESA-N
Compound name
2-[(1S,2R)-2-phenylcyclopropyl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.08914 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.09642 136.8
[M+Na]+ 180.07836 150.8
[M+NH4]+ 175.12296 143.6
[M+K]+ 196.05230 141.8
[M-H]- 156.08186 139.9
[M+Na-2H]- 178.06381 144.9
[M]+ 157.08859 140.0
[M]- 157.08969 140.0
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.