CID 21591479

2-bromo-3-(dimethylamino)acrolein

Structural Information

Molecular Formula
C5H8BrNO
SMILES
CN(C)/C=C(/C=O)\Br
InChI
InChI=1S/C5H8BrNO/c1-7(2)3-5(6)4-8/h3-4H,1-2H3/b5-3-
InChIKey
ACBSCWFIKSDJLP-HYXAFXHYSA-N
Compound name
(Z)-2-bromo-3-(dimethylamino)prop-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

176.97893 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.98621 128.9
[M+Na]+ 199.96815 139.7
[M-H]- 175.97165 133.5
[M+NH4]+ 195.01275 152.8
[M+K]+ 215.94209 130.5
[M+H-H2O]+ 159.97619 129.0
[M+HCOO]- 221.97713 151.5
[M+CH3COO]- 235.99278 183.3
[M+Na-2H]- 197.95360 135.8
[M]+ 176.97838 147.8
[M]- 176.97948 147.8
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.