CID 1549677

4-methoxycinnamonitrile

Structural Information

Molecular Formula
C10H9NO
SMILES
COC1=CC=C(C=C1)/C=C/C#N
InChI
InChI=1S/C10H9NO/c1-12-10-6-4-9(5-7-10)3-2-8-11/h2-7H,1H3/b3-2+
InChIKey
CNBCNHHPIBKYBO-NSCUHMNNSA-N
Compound name
(E)-3-(4-methoxyphenyl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

111
Patents

159.06842 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.07570 135.1
[M+Na]+ 182.05764 147.8
[M+NH4]+ 177.10224 140.3
[M+K]+ 198.03158 137.6
[M-H]- 158.06114 130.1
[M+Na-2H]- 180.04309 139.8
[M]+ 159.06787 134.7
[M]- 159.06897 134.7
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