CID 83528731

2-(5-methyl-1,3,4-oxadiazol-2-yl)ethan-1-ol

Structural Information

Molecular Formula
C5H8N2O2
SMILES
CC1=NN=C(O1)CCO
InChI
InChI=1S/C5H8N2O2/c1-4-6-7-5(9-4)2-3-8/h8H,2-3H2,1H3
InChIKey
NZRGMYXITFOSJS-UHFFFAOYSA-N
Compound name
2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

128.05858 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.06586 122.7
[M+Na]+ 151.04780 132.3
[M-H]- 127.05130 123.3
[M+NH4]+ 146.09240 142.2
[M+K]+ 167.02174 132.4
[M+H-H2O]+ 111.05584 116.4
[M+HCOO]- 173.05678 144.7
[M+CH3COO]- 187.07243 167.2
[M+Na-2H]- 149.03325 130.2
[M]+ 128.05803 124.8
[M]- 128.05913 124.8
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