CID 63034720

2,5,8-triazatricyclo[7.5.0.0,2,7]tetradeca-1(9),7-diene

Structural Information

Molecular Formula
C11H17N3
SMILES
C1CCC2=C(CC1)N3CCNCC3=N2
InChI
InChI=1S/C11H17N3/c1-2-4-9-10(5-3-1)14-7-6-12-8-11(14)13-9/h12H,1-8H2
InChIKey
PZGUWSYYAYWJTA-UHFFFAOYSA-N
Compound name
2,5,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),7-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.14224 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.14952 141.9
[M+Na]+ 214.13146 147.0
[M-H]- 190.13496 142.3
[M+NH4]+ 209.17606 159.2
[M+K]+ 230.10540 145.5
[M+H-H2O]+ 174.13950 133.2
[M+HCOO]- 236.14044 154.9
[M+CH3COO]- 250.15609 151.9
[M+Na-2H]- 212.11691 146.6
[M]+ 191.14169 132.6
[M]- 191.14279 132.6
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.