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

31
Patents

128.05858 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.065856 123.2
[M+Na]+ 151.047798 132.5
[M-H]- 127.051304 124.0
[M+NH4]+ 146.092403 142.7
[M+K]+ 167.021738 133.2
[M+H-H2O]+ 111.055840 117.1
[M+HCOO]- 173.056781 144.2
[M+CH3COO]- 187.072431 168.0
[M+Na-2H]- 149.033246 129.5
[M]+ 128.05803142 124.7
[M]- 128.05912858 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