CID 676533

4-(morpholin-4-yl)-4-oxobut-2-enoic acid

Structural Information

Molecular Formula
C8H11NO4
SMILES
C1COCCN1C(=O)/C=C/C(=O)O
InChI
InChI=1S/C8H11NO4/c10-7(1-2-8(11)12)9-3-5-13-6-4-9/h1-2H,3-6H2,(H,11,12)/b2-1+
InChIKey
FCTFTKXWJQFGLI-OWOJBTEDSA-N
Compound name
(E)-4-morpholin-4-yl-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

185.0688 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.07608 138.9
[M+Na]+ 208.05802 143.6
[M-H]- 184.06152 139.5
[M+NH4]+ 203.10262 154.7
[M+K]+ 224.03196 143.8
[M+H-H2O]+ 168.06606 132.5
[M+HCOO]- 230.06700 155.3
[M+CH3COO]- 244.08265 175.5
[M+Na-2H]- 206.04347 142.7
[M]+ 185.06825 135.7
[M]- 185.06935 135.7
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