CID 5369152

2802-08-6

Structural Information

Molecular Formula
C6H11NO
SMILES
CC(=O)/C=C/N(C)C
InChI
InChI=1S/C6H11NO/c1-6(8)4-5-7(2)3/h4-5H,1-3H3/b5-4+
InChIKey
QPWSKIGAQZAJKS-SNAWJCMRSA-N
Compound name
(E)-4-(dimethylamino)but-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

287
Patents

113.08406 Da
Monoisotopic Mass

0.3
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