CID 6410588

75020-35-8

Structural Information

Molecular Formula
C11H9N3O2
SMILES
CC1=CC2=C(C=C1C)OC3=NNN=C3C2=O
InChI
InChI=1S/C11H9N3O2/c1-5-3-7-8(4-6(5)2)16-11-9(10(7)15)12-14-13-11/h3-4H,1-2H3,(H,12,13,14)
InChIKey
PBGCGRCZLKCOCC-UHFFFAOYSA-N
Compound name
6,7-dimethyl-2H-chromeno[2,3-d]triazol-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

215.06947 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.076746 144.5
[M+Na]+ 238.058688 158.6
[M-H]- 214.062194 147.0
[M+NH4]+ 233.103293 161.9
[M+K]+ 254.032628 154.5
[M+H-H2O]+ 198.066730 137.2
[M+HCOO]- 260.067671 164.4
[M+CH3COO]- 274.083321 158.4
[M+Na-2H]- 236.044136 152.9
[M]+ 215.06892142 148.9
[M]- 215.07001858 148.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe