CID 5843291

4-(morpholin-4-yl)but-3-en-2-one

Structural Information

Molecular Formula
C8H13NO2
SMILES
CC(=O)/C=C/N1CCOCC1
InChI
InChI=1S/C8H13NO2/c1-8(10)2-3-9-4-6-11-7-5-9/h2-3H,4-7H2,1H3/b3-2+
InChIKey
XCWAJRMCPJDYBX-NSCUHMNNSA-N
Compound name
(E)-4-morpholin-4-ylbut-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

155.09464 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 133.6
[M+Na]+ 178.08386 138.8
[M-H]- 154.08736 135.5
[M+NH4]+ 173.12846 151.6
[M+K]+ 194.05780 139.0
[M+H-H2O]+ 138.09190 127.2
[M+HCOO]- 200.09284 151.8
[M+CH3COO]- 214.10849 174.4
[M+Na-2H]- 176.06931 139.1
[M]+ 155.09409 130.8
[M]- 155.09519 130.8
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