CID 52908204

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

Structural Information

Molecular Formula
C5H8N2O2
SMILES
CC1=NN=C(O1)[C@@H](C)O
InChI
InChI=1S/C5H8N2O2/c1-3(8)5-7-6-4(2)9-5/h3,8H,1-2H3/t3-/m1/s1
InChIKey
WCUWYKIMDAACPY-GSVOUGTGSA-N
Compound name
(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

128.05858 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.06586 123.2
[M+Na]+ 151.04780 132.5
[M-H]- 127.05130 124.0
[M+NH4]+ 146.09240 142.7
[M+K]+ 167.02174 133.2
[M+H-H2O]+ 111.05584 117.1
[M+HCOO]- 173.05678 144.2
[M+CH3COO]- 187.07243 168.0
[M+Na-2H]- 149.03325 129.5
[M]+ 128.05803 124.7
[M]- 128.05913 124.7
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