CID 225378

4-(morpholin-4-yl)-4-oxobutanoic acid

Structural Information

Molecular Formula
C8H13NO4
SMILES
C1COCCN1C(=O)CCC(=O)O
InChI
InChI=1S/C8H13NO4/c10-7(1-2-8(11)12)9-3-5-13-6-4-9/h1-6H2,(H,11,12)
InChIKey
OJFWUNYQLGJYEO-UHFFFAOYSA-N
Compound name
4-morpholin-4-yl-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

68
Patents

187.08446 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.09174 140.1
[M+Na]+ 210.07368 144.4
[M-H]- 186.07718 140.6
[M+NH4]+ 205.11828 155.8
[M+K]+ 226.04762 145.1
[M+H-H2O]+ 170.08172 133.5
[M+HCOO]- 232.08266 156.2
[M+CH3COO]- 246.09831 177.0
[M+Na-2H]- 208.05913 143.9
[M]+ 187.08391 137.6
[M]- 187.08501 137.6
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