CID 140119

1-methyl-1h-1,2,3-triazole

Structural Information

Molecular Formula
C3H5N3
SMILES
CN1C=CN=N1
InChI
InChI=1S/C3H5N3/c1-6-3-2-4-5-6/h2-3H,1H3
InChIKey
JWAWEQBUZOGIBZ-UHFFFAOYSA-N
Compound name
1-methyltriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3032
Patents

83.04835 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 84.055626 112.5
[M+Na]+ 106.03757 124.9
[M+NH4]+ 101.08217 120.8
[M+K]+ 122.01151 121.2
[M-H]- 82.041074 112.5
[M+Na-2H]- 104.02302 119.6
[M]+ 83.047801 114.1
[M]- 83.048899 114.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe