CID 56735

5-ethoxy-1h-benzotriazole-1-ethanol

Structural Information

Molecular Formula
C10H13N3O2
SMILES
CCOC1=CC2=C(C=C1)N(N=N2)CCO
InChI
InChI=1S/C10H13N3O2/c1-2-15-8-3-4-10-9(7-8)11-12-13(10)5-6-14/h3-4,7,14H,2,5-6H2,1H3
InChIKey
QHUUWSJWYYHBSE-UHFFFAOYSA-N
Compound name
2-(5-ethoxybenzotriazol-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.10077 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.10805 144.3
[M+Na]+ 230.08999 157.4
[M+NH4]+ 225.13459 151.3
[M+K]+ 246.06393 153.2
[M-H]- 206.09349 144.0
[M+Na-2H]- 228.07544 149.8
[M]+ 207.10022 145.9
[M]- 207.10132 145.9
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.