CID 5709580

187242-85-9

Structural Information

Molecular Formula
C8H15NO3
SMILES
CN(C)/C=C/C(=O)C(OC)OC
InChI
InChI=1S/C8H15NO3/c1-9(2)6-5-7(10)8(11-3)12-4/h5-6,8H,1-4H3/b6-5+
InChIKey
DFZIBCAWOSFLFR-AATRIKPKSA-N
Compound name
(E)-4-(dimethylamino)-1,1-dimethoxybut-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

384
Patents

173.1052 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.11248 138.5
[M+Na]+ 196.09442 144.4
[M-H]- 172.09792 140.1
[M+NH4]+ 191.13902 159.2
[M+K]+ 212.06836 146.2
[M+H-H2O]+ 156.10246 133.0
[M+HCOO]- 218.10340 162.4
[M+CH3COO]- 232.11905 186.7
[M+Na-2H]- 194.07987 141.6
[M]+ 173.10465 142.6
[M]- 173.10575 142.6
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