CID 2777801

3-dimethylamino-2-methyl-2-propenal

Structural Information

Molecular Formula
C6H11NO
SMILES
C/C(=C\N(C)C)/C=O
InChI
InChI=1S/C6H11NO/c1-6(5-8)4-7(2)3/h4-5H,1-3H3/b6-4+
InChIKey
JGAMOQYFDMQPRJ-GQCTYLIASA-N
Compound name
(E)-3-(dimethylamino)-2-methylprop-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

233
Patents

113.08406 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 123.1
[M+Na]+ 136.07328 130.1
[M-H]- 112.07678 125.1
[M+NH4]+ 131.11788 146.3
[M+K]+ 152.04722 131.0
[M+H-H2O]+ 96.081320 118.4
[M+HCOO]- 158.08226 148.1
[M+CH3COO]- 172.09791 175.8
[M+Na-2H]- 134.05873 128.5
[M]+ 113.08351 124.2
[M]- 113.08461 124.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe