CID 19910037

Morpholin-2-one

Structural Information

Molecular Formula
C4H7NO2
SMILES
C1COC(=O)CN1
InChI
InChI=1S/C4H7NO2/c6-4-3-5-1-2-7-4/h5H,1-3H2
InChIKey
ZQHJAAMMKABEBS-UHFFFAOYSA-N
Compound name
morpholin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

1773
Patents

101.047676 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.05495 116.9
[M+Na]+ 124.03689 123.1
[M-H]- 100.04040 117.9
[M+NH4]+ 119.08150 136.3
[M+K]+ 140.01083 123.6
[M+H-H2O]+ 84.044936 111.2
[M+HCOO]- 146.04588 135.6
[M+CH3COO]- 160.06153 160.3
[M+Na-2H]- 122.02234 125.2
[M]+ 101.04713 112.1
[M]- 101.04822 112.1
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