CID 75481037

2580211-50-1

Structural Information

Molecular Formula
C9H13N3
SMILES
C1CC2=C3CNCCN3N=C2C1
InChI
InChI=1S/C9H13N3/c1-2-7-8(3-1)11-12-5-4-10-6-9(7)12/h10H,1-6H2
InChIKey
KFEGNQFDTSLVBP-UHFFFAOYSA-N
Compound name
7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.11095 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.11823 135.9
[M+Na]+ 186.10017 143.5
[M-H]- 162.10367 135.5
[M+NH4]+ 181.14477 157.3
[M+K]+ 202.07411 140.1
[M+H-H2O]+ 146.10821 128.4
[M+HCOO]- 208.10915 152.0
[M+CH3COO]- 222.12480 147.7
[M+Na-2H]- 184.08562 139.9
[M]+ 163.11040 130.8
[M]- 163.11150 130.8
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.