CID 61749839

1-(3-methyl-1h-1,2,4-triazol-5-yl)ethan-1-ol

Structural Information

Molecular Formula
C5H9N3O
SMILES
CC1=NC(=NN1)C(C)O
InChI
InChI=1S/C5H9N3O/c1-3(9)5-6-4(2)7-8-5/h3,9H,1-2H3,(H,6,7,8)
InChIKey
WJWAGYYQNNIODS-UHFFFAOYSA-N
Compound name
1-(5-methyl-1H-1,2,4-triazol-3-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

127.07456 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.081836 125.9
[M+Na]+ 150.063778 134.8
[M-H]- 126.067284 123.3
[M+NH4]+ 145.108383 144.6
[M+K]+ 166.037718 133.0
[M+H-H2O]+ 110.071820 119.1
[M+HCOO]- 172.072761 144.7
[M+CH3COO]- 186.088411 166.4
[M+Na-2H]- 148.049226 130.7
[M]+ 127.07401142 124.0
[M]- 127.07510858 124.0
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