CID 114690055

2-(1-methyl-1h-1,2,3-triazol-5-yl)ethan-1-ol

Structural Information

Molecular Formula
C5H9N3O
SMILES
CN1C(=CN=N1)CCO
InChI
InChI=1S/C5H9N3O/c1-8-5(2-3-9)4-6-7-8/h4,9H,2-3H2,1H3
InChIKey
LFRCHXXTPDBTLI-UHFFFAOYSA-N
Compound name
2-(3-methyltriazol-4-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

127.07456 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.08184 124.5
[M+Na]+ 150.06378 134.1
[M-H]- 126.06728 123.1
[M+NH4]+ 145.10838 144.0
[M+K]+ 166.03772 132.8
[M+H-H2O]+ 110.07182 117.3
[M+HCOO]- 172.07276 145.9
[M+CH3COO]- 186.08841 168.1
[M+Na-2H]- 148.04923 131.0
[M]+ 127.07401 125.1
[M]- 127.07511 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

No patent data available for this compound.