CID 23397001

(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)methanol

Structural Information

Molecular Formula
C5H9NO2
SMILES
CC1CC(=NO1)CO
InChI
InChI=1S/C5H9NO2/c1-4-2-5(3-7)6-8-4/h4,7H,2-3H2,1H3
InChIKey
VESQBUPIOORQDE-UHFFFAOYSA-N
Compound name
(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

115.06333 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.070606 120.2
[M+Na]+ 138.052548 128.7
[M-H]- 114.056054 122.0
[M+NH4]+ 133.097153 141.5
[M+K]+ 154.026488 129.2
[M+H-H2O]+ 98.060590 115.0
[M+HCOO]- 160.061531 142.1
[M+CH3COO]- 174.077181 164.7
[M+Na-2H]- 136.037996 126.9
[M]+ 115.06278142 120.4
[M]- 115.06387858 120.4
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