CID 49970

67730-10-3

Structural Information

Molecular Formula
C10H8N4
SMILES
C1=CC2=NC3=C(N2C=C1)N=C(C=C3)N
InChI
InChI=1S/C10H8N4/c11-8-5-4-7-10(13-8)14-6-2-1-3-9(14)12-7/h1-6H,(H2,11,13)
InChIKey
BUXVIXBGMQXWGT-UHFFFAOYSA-N
Compound name
1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaen-4-amine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

48
References

201
Patents

184.07489 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.08217 135.8
[M+Na]+ 207.06411 147.8
[M-H]- 183.06761 137.9
[M+NH4]+ 202.10871 155.4
[M+K]+ 223.03805 143.0
[M+H-H2O]+ 167.07215 127.8
[M+HCOO]- 229.07309 158.5
[M+CH3COO]- 243.08874 149.6
[M+Na-2H]- 205.04956 146.1
[M]+ 184.07434 136.6
[M]- 184.07544 136.6
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.