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 130.0
[M+Na]+ 180.07836 145.7
[M-H]- 156.08186 138.5
[M+NH4]+ 175.12296 146.4
[M+K]+ 196.05230 138.7
[M+H-H2O]+ 140.08640 120.1
[M+HCOO]- 202.08734 152.7
[M+CH3COO]- 216.10299 193.7
[M+Na-2H]- 178.06381 138.4
[M]+ 157.08859 128.8
[M]- 157.08969 128.8
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.