CID 5324714

3-ethoxyacrylonitrile

Structural Information

Molecular Formula
C5H7NO
SMILES
CCO/C=C/C#N
InChI
InChI=1S/C5H7NO/c1-2-7-5-3-4-6/h3,5H,2H2,1H3/b5-3+
InChIKey
HUPVIAINOSTNBJ-HWKANZROSA-N
Compound name
(E)-3-ethoxyprop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

882
Patents

97.052765 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 98.060041 115.5
[M+Na]+ 120.04198 125.4
[M-H]- 96.045489 116.7
[M+NH4]+ 115.08659 136.9
[M+K]+ 136.01592 125.0
[M+H-H2O]+ 80.050025 104.9
[M+HCOO]- 142.05097 136.7
[M+CH3COO]- 156.06662 179.7
[M+Na-2H]- 118.02743 123.3
[M]+ 97.052216 112.2
[M]- 97.053314 112.2
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