CID 2777801

19125-76-9

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

234
Patents

113.08406 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.091336 123.1
[M+Na]+ 136.073278 130.1
[M-H]- 112.076784 125.1
[M+NH4]+ 131.117883 146.3
[M+K]+ 152.047218 131.0
[M+H-H2O]+ 96.081320 118.4
[M+HCOO]- 158.082261 148.1
[M+CH3COO]- 172.097911 175.8
[M+Na-2H]- 134.058726 128.5
[M]+ 113.08351142 124.2
[M]- 113.08460858 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