CID 253878

1h-1,2,3-triazol-4-ylmethanol hydrochloride

Structural Information

Molecular Formula
C3H5N3O
SMILES
C1=NNN=C1CO
InChI
InChI=1S/C3H5N3O/c7-2-3-1-4-6-5-3/h1,7H,2H2,(H,4,5,6)
InChIKey
OADYBXHYXPEGHX-UHFFFAOYSA-N
Compound name
2H-triazol-4-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

907
Patents

99.04326 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.050536 116.4
[M+Na]+ 122.032478 125.4
[M-H]- 98.035984 113.5
[M+NH4]+ 117.077083 135.9
[M+K]+ 138.006418 123.8
[M+H-H2O]+ 82.040520 109.4
[M+HCOO]- 144.041461 136.9
[M+CH3COO]- 158.057111 158.4
[M+Na-2H]- 120.017926 124.2
[M]+ 99.04271142 113.9
[M]- 99.04380858 113.9
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