CID 140449

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

Structural Information

Molecular Formula
C3H5N3
SMILES
CN1N=CC=N1
InChI
InChI=1S/C3H5N3/c1-6-4-2-3-5-6/h2-3H,1H3
InChIKey
NGCXHCGUQHIOLZ-UHFFFAOYSA-N
Compound name
2-methyltriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2049
Patents

83.04835 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 84.055626 111.5
[M+Na]+ 106.03757 121.5
[M-H]- 82.041074 111.4
[M+NH4]+ 101.08217 133.2
[M+K]+ 122.01151 121.4
[M+H-H2O]+ 66.045610 104.3
[M+HCOO]- 128.04655 134.8
[M+CH3COO]- 142.06220 161.8
[M+Na-2H]- 104.02302 120.4
[M]+ 83.047801 111.5
[M]- 83.048899 111.5
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