CID 3076748

Brn 4187458

Structural Information

Molecular Formula
C10H8N4O
SMILES
CC1=[N+](C=CC2=C1C=NC3=CC=NN23)[O-]
InChI
InChI=1S/C10H8N4O/c1-7-8-6-11-10-2-4-12-14(10)9(8)3-5-13(7)15/h2-6H,1H3
InChIKey
GEKYKFDBFDCGJY-UHFFFAOYSA-N
Compound name
10-methyl-11-oxido-2,3,7-triaza-11-azoniatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.06981 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.07709 140.9
[M+Na]+ 223.05903 153.3
[M-H]- 199.06253 141.2
[M+NH4]+ 218.10363 158.0
[M+K]+ 239.03297 144.0
[M+H-H2O]+ 183.06707 137.1
[M+HCOO]- 245.06801 160.8
[M+CH3COO]- 259.08366 176.3
[M+Na-2H]- 221.04448 152.5
[M]+ 200.06926 141.4
[M]- 200.07036 141.4
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.