CID 322319

3-allyl-1,2,3-benzotriazin-4(3h)-one

Structural Information

Molecular Formula
C10H9N3O
SMILES
C=CCN1C(=O)C2=CC=CC=C2N=N1
InChI
InChI=1S/C10H9N3O/c1-2-7-13-10(14)8-5-3-4-6-9(8)11-12-13/h2-6H,1,7H2
InChIKey
QJYQHRIUEOFHMV-UHFFFAOYSA-N
Compound name
3-prop-2-enyl-1,2,3-benzotriazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.07455 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.08183 138.6
[M+Na]+ 210.06377 149.6
[M-H]- 186.06727 139.4
[M+NH4]+ 205.10837 155.6
[M+K]+ 226.03771 145.2
[M+H-H2O]+ 170.07181 130.3
[M+HCOO]- 232.07275 159.3
[M+CH3COO]- 246.08840 182.7
[M+Na-2H]- 208.04922 148.1
[M]+ 187.07400 139.9
[M]- 187.07510 139.9
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.