CID 22054396

2172153-44-3

Structural Information

Molecular Formula
C4H9NO2
SMILES
CC1(CNOC1)O
InChI
InChI=1S/C4H9NO2/c1-4(6)2-5-7-3-4/h5-6H,2-3H2,1H3
InChIKey
TWPGPTBIVFHGOA-UHFFFAOYSA-N
Compound name
4-methyl-1,2-oxazolidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

103.06333 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.070606 118.1
[M+Na]+ 126.052548 125.4
[M-H]- 102.056054 118.2
[M+NH4]+ 121.097153 140.7
[M+K]+ 142.026488 125.7
[M+H-H2O]+ 86.060590 113.8
[M+HCOO]- 148.061531 137.2
[M+CH3COO]- 162.077181 157.9
[M+Na-2H]- 124.037996 125.7
[M]+ 103.06278142 114.5
[M]- 103.06387858 114.5
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