CID 1547783

(1h-1,2,4-triazol-1-yl)methanol

Structural Information

Molecular Formula
C3H5N3O
SMILES
C1=NN(C=N1)CO
InChI
InChI=1S/C3H5N3O/c7-3-6-2-4-1-5-6/h1-2,7H,3H2
InChIKey
WCRAKJMHCWUABB-UHFFFAOYSA-N
Compound name
1,2,4-triazol-1-ylmethanol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

198
Patents

99.04326 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.05054 115.4
[M+Na]+ 122.03248 124.9
[M-H]- 98.035984 113.9
[M+NH4]+ 117.07708 135.7
[M+K]+ 138.00642 124.2
[M+H-H2O]+ 82.040520 108.3
[M+HCOO]- 144.04146 137.4
[M+CH3COO]- 158.05711 161.0
[M+Na-2H]- 120.01793 123.7
[M]+ 99.042711 114.9
[M]- 99.043809 114.9
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