CID 29831

3-methyl-2-oxazolidone

Structural Information

Molecular Formula
C4H7NO2
SMILES
CN1CCOC1=O
InChI
InChI=1S/C4H7NO2/c1-5-2-3-7-4(5)6/h2-3H2,1H3
InChIKey
VWIIJDNADIEEDB-UHFFFAOYSA-N
Compound name
3-methyl-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

20064
Patents

101.047676 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.05495 117.1
[M+Na]+ 124.03689 127.8
[M+NH4]+ 119.08150 125.4
[M+K]+ 140.01083 125.3
[M-H]- 100.04040 118.6
[M+Na-2H]- 122.02234 121.2
[M]+ 101.04713 118.8
[M]- 101.04822 118.8
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