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]+ 158.096416 130.0
[M+Na]+ 180.078358 145.7
[M-H]- 156.081864 138.5
[M+NH4]+ 175.122963 146.4
[M+K]+ 196.052298 138.7
[M+H-H2O]+ 140.086400 120.1
[M+HCOO]- 202.087341 152.7
[M+CH3COO]- 216.102991 193.7
[M+Na-2H]- 178.063806 138.4
[M]+ 157.08859142 128.8
[M]- 157.08968858 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.