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]+ 175.97057 123.3
[M+Na]+ 197.95251 136.3
[M-H]- 173.95601 125.8
[M+NH4]+ 192.99711 144.7
[M+K]+ 213.92645 126.7
[M+H-H2O]+ 157.96055 117.4
[M+HCOO]- 219.96149 143.4
[M+CH3COO]- 233.97714 189.9
[M+Na-2H]- 195.93796 130.8
[M]+ 174.96274 136.0
[M]- 174.96384 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.