CID 23440949

100367-83-7

Structural Information

Molecular Formula
C5H7NO2
SMILES
CC1=NOC=C1CO
InChI
InChI=1S/C5H7NO2/c1-4-5(2-7)3-8-6-4/h3,7H,2H2,1H3
InChIKey
IKGIRSAMZDRLHN-UHFFFAOYSA-N
Compound name
(3-methyl-1,2-oxazol-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

113.047676 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.054952 118.1
[M+Na]+ 136.036894 127.6
[M-H]- 112.040400 120.2
[M+NH4]+ 131.081499 139.6
[M+K]+ 152.010834 127.9
[M+H-H2O]+ 96.044936 112.9
[M+HCOO]- 158.045877 141.4
[M+CH3COO]- 172.061527 164.3
[M+Na-2H]- 134.022342 125.9
[M]+ 113.04712742 119.7
[M]- 113.04822458 119.7
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