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]+ 128.08184 125.9
[M+Na]+ 150.06378 134.8
[M-H]- 126.06728 123.3
[M+NH4]+ 145.10838 144.6
[M+K]+ 166.03772 133.0
[M+H-H2O]+ 110.07182 119.1
[M+HCOO]- 172.07276 144.7
[M+CH3COO]- 186.08841 166.4
[M+Na-2H]- 148.04923 130.7
[M]+ 127.07401 124.0
[M]- 127.07511 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