CID 34241

Dtxsid101291936

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

32
Patents

159.06842 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.075696 133.6
[M+Na]+ 182.057638 144.1
[M-H]- 158.061144 137.1
[M+NH4]+ 177.102243 152.6
[M+K]+ 198.031578 140.6
[M+H-H2O]+ 142.065680 121.6
[M+HCOO]- 204.066621 154.7
[M+CH3COO]- 218.082271 189.8
[M+Na-2H]- 180.043086 140.2
[M]+ 159.06787142 129.8
[M]- 159.06896858 129.8
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