CID 61749840

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

Structural Information

Molecular Formula
C6H11N3O
SMILES
CCC1=NC(=NN1)C(C)O
InChI
InChI=1S/C6H11N3O/c1-3-5-7-6(4(2)10)9-8-5/h4,10H,3H2,1-2H3,(H,7,8,9)
InChIKey
LHCHHXPWILHRRZ-UHFFFAOYSA-N
Compound name
1-(5-ethyl-1H-1,2,4-triazol-3-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

141.09021 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.09749 130.4
[M+Na]+ 164.07943 138.9
[M-H]- 140.08293 127.6
[M+NH4]+ 159.12403 148.6
[M+K]+ 180.05337 136.9
[M+H-H2O]+ 124.08747 123.4
[M+HCOO]- 186.08841 148.9
[M+CH3COO]- 200.10406 169.4
[M+Na-2H]- 162.06488 134.7
[M]+ 141.08966 128.8
[M]- 141.09076 128.8
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