CID 92016016

4-bromo-2-methoxybut-2-enenitrile

Structural Information

Molecular Formula
C5H6BrNO
SMILES
CO/C(=C/CBr)/C#N
InChI
InChI=1S/C5H6BrNO/c1-8-5(4-7)2-3-6/h2H,3H2,1H3/b5-2+
InChIKey
LCMZLMVNRRKFSB-GORDUTHDSA-N
Compound name
(E)-4-bromo-2-methoxybut-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.96329 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.970566 123.3
[M+Na]+ 197.952508 136.3
[M-H]- 173.956014 125.8
[M+NH4]+ 192.997113 144.7
[M+K]+ 213.926448 126.7
[M+H-H2O]+ 157.960550 117.4
[M+HCOO]- 219.961491 143.4
[M+CH3COO]- 233.977141 189.9
[M+Na-2H]- 195.937956 130.8
[M]+ 174.96274142 136.0
[M]- 174.96383858 136.0
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.