CID 1550846

Cinnamonitrile

Structural Information

Molecular Formula
C9H7N
SMILES
C1=CC=C(C=C1)/C=C/C#N
InChI
InChI=1S/C9H7N/c10-8-4-7-9-5-2-1-3-6-9/h1-7H/b7-4+
InChIKey
ZWKNLRXFUTWSOY-QPJJXVBHSA-N
Compound name
(E)-3-phenylprop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

22
References

8516
Patents

129.05785 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.06513 129.5
[M+Na]+ 152.04707 142.6
[M+NH4]+ 147.09167 135.5
[M+K]+ 168.02101 131.8
[M-H]- 128.05057 125.1
[M+Na-2H]- 150.03252 135.1
[M]+ 129.05730 129.3
[M]- 129.05840 129.3
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