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]+ 208.108046 143.8
[M+Na]+ 230.089988 154.5
[M-H]- 206.093494 143.7
[M+NH4]+ 225.134593 161.3
[M+K]+ 246.063928 151.2
[M+H-H2O]+ 190.098030 136.0
[M+HCOO]- 252.098971 165.0
[M+CH3COO]- 266.114621 183.4
[M+Na-2H]- 228.075436 151.0
[M]+ 207.10022142 148.3
[M]- 207.10131858 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.