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
4
Annotation Hits

0
References

158
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 116.3
[M+Na]+ 122.03248 127.6
[M+NH4]+ 117.07708 123.6
[M+K]+ 138.00642 124.8
[M-H]- 98.035984 115.2
[M+Na-2H]- 120.01793 122.2
[M]+ 99.042711 117.3
[M]- 99.043809 117.3
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