CID 56737

94120-25-9

Structural Information

Molecular Formula
C10H12N4O4
SMILES
CCOC1=C(C=C2C(=C1)N=NN2CCO)[N+](=O)[O-]
InChI
InChI=1S/C10H12N4O4/c1-2-18-10-5-7-8(6-9(10)14(16)17)13(3-4-15)12-11-7/h5-6,15H,2-4H2,1H3
InChIKey
YSFDRWBKHHFSNZ-UHFFFAOYSA-N
Compound name
2-(5-ethoxy-6-nitrobenzotriazol-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.08586 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.093136 151.6
[M+Na]+ 275.075078 161.1
[M-H]- 251.078584 152.1
[M+NH4]+ 270.119683 166.4
[M+K]+ 291.049018 154.2
[M+H-H2O]+ 235.083120 148.2
[M+HCOO]- 297.084061 173.8
[M+CH3COO]- 311.099711 186.0
[M+Na-2H]- 273.060526 160.5
[M]+ 252.08531142 154.8
[M]- 252.08640858 154.8
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

No patent data available for this compound.