CID 140449

2-methyl-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

2047
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]+ 106.037568 121.5
[M-H]- 82.041074 111.4
[M+NH4]+ 101.082173 133.2
[M+K]+ 122.011508 121.4
[M+H-H2O]+ 66.045610 104.3
[M+HCOO]- 128.046551 134.8
[M+CH3COO]- 142.062201 161.8
[M+Na-2H]- 104.023016 120.4
[M]+ 83.04780142 111.5
[M]- 83.04889858 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