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

149
Patents

114.04293 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.050206 118.0
[M+Na]+ 137.032148 128.0
[M-H]- 113.035654 118.8
[M+NH4]+ 132.076753 138.1
[M+K]+ 153.006088 128.4
[M+H-H2O]+ 97.040190 112.0
[M+HCOO]- 159.041131 140.3
[M+CH3COO]- 173.056781 164.1
[M+Na-2H]- 135.017596 126.0
[M]+ 114.04238142 119.8
[M]- 114.04347858 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