CID 85695995

2-(1-phenylcyclopropyl)acetonitrile

Structural Information

Molecular Formula
C11H11N
SMILES
C1CC1(CC#N)C2=CC=CC=C2
InChI
InChI=1S/C11H11N/c12-9-8-11(6-7-11)10-4-2-1-3-5-10/h1-5H,6-8H2
InChIKey
ZDCGDVYPXDJWKA-UHFFFAOYSA-N
Compound name
2-(1-phenylcyclopropyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.08914 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.09642 137.6
[M+Na]+ 180.07836 151.6
[M+NH4]+ 175.12296 145.6
[M+K]+ 196.05230 141.0
[M-H]- 156.08186 140.9
[M+Na-2H]- 178.06381 147.2
[M]+ 157.08859 141.0
[M]- 157.08969 141.0
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.