CID 75360918

2-(4-methyl-4h-1,2,4-triazol-3-yl)ethan-1-ol

Structural Information

Molecular Formula
C5H9N3O
SMILES
CN1C=NN=C1CCO
InChI
InChI=1S/C5H9N3O/c1-8-4-6-7-5(8)2-3-9/h4,9H,2-3H2,1H3
InChIKey
NXWMWQORWYXEHP-UHFFFAOYSA-N
Compound name
2-(4-methyl-1,2,4-triazol-3-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

127.07456 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.081836 124.5
[M+Na]+ 150.063778 134.1
[M-H]- 126.067284 123.1
[M+NH4]+ 145.108383 144.0
[M+K]+ 166.037718 132.8
[M+H-H2O]+ 110.071820 117.3
[M+HCOO]- 172.072761 145.9
[M+CH3COO]- 186.088411 168.1
[M+Na-2H]- 148.049226 131.0
[M]+ 127.07401142 125.1
[M]- 127.07510858 125.1
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