CID 125511863

2059912-18-2

Structural Information

Molecular Formula
C11H15N3
SMILES
C1C[C@H]2CNCC3=C(N2C1)N=CC=C3
InChI
InChI=1S/C11H15N3/c1-3-9-7-12-8-10-4-2-6-14(10)11(9)13-5-1/h1,3,5,10,12H,2,4,6-8H2/t10-/m0/s1
InChIKey
XHLZWHZPUMPINL-JTQLQIEISA-N
Compound name
(6S)-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.1266 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.13388 140.5
[M+Na]+ 212.11582 146.6
[M-H]- 188.11932 141.3
[M+NH4]+ 207.16042 158.0
[M+K]+ 228.08976 145.0
[M+H-H2O]+ 172.12386 132.0
[M+HCOO]- 234.12480 154.9
[M+CH3COO]- 248.14045 151.1
[M+Na-2H]- 210.10127 146.2
[M]+ 189.12605 132.6
[M]- 189.12715 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.