CID 14767509

2-phenylbut-3-enenitrile

Structural Information

Molecular Formula
C10H9N
SMILES
C=CC(C#N)C1=CC=CC=C1
InChI
InChI=1S/C10H9N/c1-2-9(8-11)10-6-4-3-5-7-10/h2-7,9H,1H2
InChIKey
URFKATXMVVHHEY-UHFFFAOYSA-N
Compound name
2-phenylbut-3-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

266
Patents

143.0735 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.08078 133.4
[M+Na]+ 166.06272 146.0
[M+NH4]+ 161.10732 139.1
[M+K]+ 182.03666 135.7
[M-H]- 142.06622 128.7
[M+Na-2H]- 164.04817 138.5
[M]+ 143.07295 133.1
[M]- 143.07405 133.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe