CID 56736

94120-22-6

Structural Information

Molecular Formula
C9H10N4O4
SMILES
COC1=C(C=C2C(=C1)N=NN2CCO)[N+](=O)[O-]
InChI
InChI=1S/C9H10N4O4/c1-17-9-4-6-7(5-8(9)13(15)16)12(2-3-14)11-10-6/h4-5,14H,2-3H2,1H3
InChIKey
RZOSCHRJNRQVNG-UHFFFAOYSA-N
Compound name
2-(5-methoxy-6-nitrobenzotriazol-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.0702 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.07748 146.8
[M+Na]+ 261.05942 156.8
[M-H]- 237.06292 147.5
[M+NH4]+ 256.10402 162.2
[M+K]+ 277.03336 150.2
[M+H-H2O]+ 221.06746 143.6
[M+HCOO]- 283.06840 169.4
[M+CH3COO]- 297.08405 183.0
[M+Na-2H]- 259.04487 156.2
[M]+ 238.06965 149.7
[M]- 238.07075 149.7
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.