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 143.8
[M+Na]+ 230.08999 154.5
[M-H]- 206.09349 143.7
[M+NH4]+ 225.13459 161.3
[M+K]+ 246.06393 151.2
[M+H-H2O]+ 190.09803 136.0
[M+HCOO]- 252.09897 165.0
[M+CH3COO]- 266.11462 183.4
[M+Na-2H]- 228.07544 151.0
[M]+ 207.10022 148.3
[M]- 207.10132 148.3
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.