CID 76224985

6-(hydroxymethyl)-4-methylmorpholin-3-one

Structural Information

Molecular Formula
C6H11NO3
SMILES
CN1CC(OCC1=O)CO
InChI
InChI=1S/C6H11NO3/c1-7-2-5(3-8)10-4-6(7)9/h5,8H,2-4H2,1H3
InChIKey
SYLLDQXUZQCNEE-UHFFFAOYSA-N
Compound name
6-(hydroxymethyl)-4-methylmorpholin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

145.0739 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.081176 128.3
[M+Na]+ 168.063118 135.6
[M-H]- 144.066624 129.8
[M+NH4]+ 163.107723 146.6
[M+K]+ 184.037058 136.0
[M+H-H2O]+ 128.071160 122.6
[M+HCOO]- 190.072101 146.7
[M+CH3COO]- 204.087751 170.8
[M+Na-2H]- 166.048566 134.2
[M]+ 145.07335142 126.5
[M]- 145.07444858 126.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe