CID 494375

Nsc617850

Structural Information

Molecular Formula
C11H12N4O2
SMILES
C1COCCN1C2=NC3=CC=CC=C3[N+](=N2)[O-]
InChI
InChI=1S/C11H12N4O2/c16-15-10-4-2-1-3-9(10)12-11(13-15)14-5-7-17-8-6-14/h1-4H,5-8H2
InChIKey
BEQHDWWEVNJIBU-UHFFFAOYSA-N
Compound name
4-(1-oxido-1,2,4-benzotriazin-1-ium-3-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.09602 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.10330 151.1
[M+Na]+ 255.08524 158.0
[M-H]- 231.08874 152.1
[M+NH4]+ 250.12984 161.5
[M+K]+ 271.05918 150.2
[M+H-H2O]+ 215.09328 144.9
[M+HCOO]- 277.09422 164.8
[M+CH3COO]- 291.10987 179.9
[M+Na-2H]- 253.07069 161.6
[M]+ 232.09547 145.6
[M]- 232.09657 145.6
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.