CID 638320

3-dimethylaminoacrylaldehyde

Structural Information

Molecular Formula
C5H9NO
SMILES
CN(C)/C=C/C=O
InChI
InChI=1S/C5H9NO/c1-6(2)4-3-5-7/h3-5H,1-2H3/b4-3+
InChIKey
RRLMPLDPCKRASL-ONEGZZNKSA-N
Compound name
(E)-3-(dimethylamino)prop-2-enal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

1611
Patents

99.06841 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.075686 118.0
[M+Na]+ 122.057628 125.7
[M-H]- 98.061134 120.1
[M+NH4]+ 117.102233 141.9
[M+K]+ 138.031568 126.4
[M+H-H2O]+ 82.065670 113.5
[M+HCOO]- 144.066611 144.4
[M+CH3COO]- 158.082261 171.9
[M+Na-2H]- 120.043076 125.3
[M]+ 99.06786142 119.4
[M]- 99.06895858 119.4
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.