CID 79125

Dtxsid001308522

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1583
Patents

99.06841 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.07569 118.0
[M+Na]+ 122.05763 125.7
[M-H]- 98.061134 120.1
[M+NH4]+ 117.10223 141.9
[M+K]+ 138.03157 126.4
[M+H-H2O]+ 82.065670 113.5
[M+HCOO]- 144.06661 144.4
[M+CH3COO]- 158.08226 171.9
[M+Na-2H]- 120.04308 125.3
[M]+ 99.067861 119.4
[M]- 99.068959 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.