CID 54120934

1-methyl-1h-1,2,3-triazol-4-ol

Structural Information

Molecular Formula
C3H5N3O
SMILES
CN1C=C(N=N1)O
InChI
InChI=1S/C3H5N3O/c1-6-2-3(7)4-5-6/h2,7H,1H3
InChIKey
NNQKOSQYWYUCNE-UHFFFAOYSA-N
Compound name
1-methyltriazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

99.04326 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.050536 115.4
[M+Na]+ 122.032478 125.9
[M-H]- 98.035984 114.3
[M+NH4]+ 117.077083 136.0
[M+K]+ 138.006418 125.1
[M+H-H2O]+ 82.040520 108.6
[M+HCOO]- 144.041461 137.4
[M+CH3COO]- 158.057111 162.1
[M+Na-2H]- 120.017926 123.0
[M]+ 99.04271142 115.3
[M]- 99.04380858 115.3
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