CID 16767502

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

Structural Information

Molecular Formula
C4H6N2O2
SMILES
CC1=NC(=NO1)CO
InChI
InChI=1S/C4H6N2O2/c1-3-5-4(2-7)6-8-3/h7H,2H2,1H3
InChIKey
QAMJOTCGJONJDI-UHFFFAOYSA-N
Compound name
(5-methyl-1,2,4-oxadiazol-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
Patents

114.04293 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.05021 119.0
[M+Na]+ 137.03215 130.7
[M+NH4]+ 132.07675 126.4
[M+K]+ 153.00609 128.5
[M-H]- 113.03565 119.7
[M+Na-2H]- 135.01760 123.9
[M]+ 114.04238 120.6
[M]- 114.04348 120.6
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