CID 5372695

(e)-4-phenylbut-3-enenitrile

Structural Information

Molecular Formula
C10H9N
SMILES
C1=CC=C(C=C1)/C=C/CC#N
InChI
InChI=1S/C10H9N/c11-9-5-4-8-10-6-2-1-3-7-10/h1-4,6-8H,5H2/b8-4+
InChIKey
CQWHLNCODHOFCT-XBXARRHUSA-N
Compound name
(E)-4-phenylbut-3-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

143.0735 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.080776 131.6
[M+Na]+ 166.062718 141.3
[M-H]- 142.066224 134.7
[M+NH4]+ 161.107323 151.0
[M+K]+ 182.036658 137.2
[M+H-H2O]+ 126.070760 119.6
[M+HCOO]- 188.071701 152.4
[M+CH3COO]- 202.087351 187.1
[M+Na-2H]- 164.048166 138.8
[M]+ 143.07295142 126.1
[M]- 143.07404858 126.1
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