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]+ 192.149516 141.9
[M+Na]+ 214.131458 147.0
[M-H]- 190.134964 142.3
[M+NH4]+ 209.176063 159.2
[M+K]+ 230.105398 145.5
[M+H-H2O]+ 174.139500 133.2
[M+HCOO]- 236.140441 154.9
[M+CH3COO]- 250.156091 151.9
[M+Na-2H]- 212.116906 146.6
[M]+ 191.14169142 132.6
[M]- 191.14278858 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.