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]+ 253.09314 151.6
[M+Na]+ 275.07508 161.1
[M-H]- 251.07858 152.1
[M+NH4]+ 270.11968 166.4
[M+K]+ 291.04902 154.2
[M+H-H2O]+ 235.08312 148.2
[M+HCOO]- 297.08406 173.8
[M+CH3COO]- 311.09971 186.0
[M+Na-2H]- 273.06053 160.5
[M]+ 252.08531 154.8
[M]- 252.08641 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.