CID 14221075

4-methoxybut-2-enenitrile

Structural Information

Molecular Formula
C5H7NO
SMILES
COC/C=C/C#N
InChI
InChI=1S/C5H7NO/c1-7-5-3-2-4-6/h2-3H,5H2,1H3/b3-2+
InChIKey
GPNISLPZDBITJJ-NSCUHMNNSA-N
Compound name
(E)-4-methoxybut-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

97.052765 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 98.060041 115.5
[M+Na]+ 120.041983 125.4
[M-H]- 96.045489 116.7
[M+NH4]+ 115.086588 136.9
[M+K]+ 136.015923 125.0
[M+H-H2O]+ 80.050025 104.9
[M+HCOO]- 142.050966 136.7
[M+CH3COO]- 156.066616 179.7
[M+Na-2H]- 118.027431 123.3
[M]+ 97.05221642 112.2
[M]- 97.05331358 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.