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 132.3
[M+Na]+ 180.07836 148.2
[M-H]- 156.08186 141.1
[M+NH4]+ 175.12296 150.3
[M+K]+ 196.05230 141.4
[M+H-H2O]+ 140.08640 123.1
[M+HCOO]- 202.08734 154.8
[M+CH3COO]- 216.10299 192.4
[M+Na-2H]- 178.06381 142.1
[M]+ 157.08859 131.2
[M]- 157.08969 131.2
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.