CID 20201477

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

Structural Information

Molecular Formula
C4H6N2O2
SMILES
CC1=NN=C(O1)CO
InChI
InChI=1S/C4H6N2O2/c1-3-5-6-4(2-7)8-3/h7H,2H2,1H3
InChIKey
LCLOUZXOEJVYFP-UHFFFAOYSA-N
Compound name
(5-methyl-1,3,4-oxadiazol-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

125
Patents

114.04293 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.05021 118.0
[M+Na]+ 137.03215 128.0
[M-H]- 113.03565 118.8
[M+NH4]+ 132.07675 138.1
[M+K]+ 153.00609 128.4
[M+H-H2O]+ 97.040190 112.0
[M+HCOO]- 159.04113 140.3
[M+CH3COO]- 173.05678 164.1
[M+Na-2H]- 135.01760 126.0
[M]+ 114.04238 119.8
[M]- 114.04348 119.8
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