CID 84083092

1823607-31-3

Structural Information

Molecular Formula
C9H12N4
SMILES
C1CC2C3=CN=C(N=C3CC1N2)N
InChI
InChI=1S/C9H12N4/c10-9-11-4-6-7-2-1-5(12-7)3-8(6)13-9/h4-5,7,12H,1-3H2,(H2,10,11,13)
InChIKey
IJAFYRDYHVMADW-UHFFFAOYSA-N
Compound name
4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

176.1062 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.11348 136.5
[M+Na]+ 199.09542 144.8
[M-H]- 175.09892 134.5
[M+NH4]+ 194.14002 156.1
[M+K]+ 215.06936 140.3
[M+H-H2O]+ 159.10346 129.1
[M+HCOO]- 221.10440 152.1
[M+CH3COO]- 235.12005 147.9
[M+Na-2H]- 197.08087 143.7
[M]+ 176.10565 131.4
[M]- 176.10675 131.4
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

patents stripe