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

27
Patents

103.06333 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.07061 118.1
[M+Na]+ 126.05255 125.4
[M-H]- 102.05605 118.2
[M+NH4]+ 121.09715 140.7
[M+K]+ 142.02649 125.7
[M+H-H2O]+ 86.060590 113.8
[M+HCOO]- 148.06153 137.2
[M+CH3COO]- 162.07718 157.9
[M+Na-2H]- 124.03800 125.7
[M]+ 103.06278 114.5
[M]- 103.06388 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