CID 8063308

(s)-4-methyloxazolidin-2-one

Structural Information

Molecular Formula
C4H7NO2
SMILES
C[C@H]1COC(=O)N1
InChI
InChI=1S/C4H7NO2/c1-3-2-7-4(6)5-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1
InChIKey
VAJFEOKPKHIPEN-VKHMYHEASA-N
Compound name
(4S)-4-methyl-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

895
Patents

101.047676 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.05495 116.5
[M+Na]+ 124.03689 124.7
[M-H]- 100.04040 118.1
[M+NH4]+ 119.08150 138.2
[M+K]+ 140.01083 125.1
[M+H-H2O]+ 84.044936 111.6
[M+HCOO]- 146.04588 137.4
[M+CH3COO]- 160.06153 161.2
[M+Na-2H]- 122.02234 122.8
[M]+ 101.04713 114.2
[M]- 101.04822 114.2
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