CID 115017907

1890489-21-0

Structural Information

Molecular Formula
C11H15N3
SMILES
CCC1=NC=C2C3CCC(N3)CC2=N1
InChI
InChI=1S/C11H15N3/c1-2-11-12-6-8-9-4-3-7(13-9)5-10(8)14-11/h6-7,9,13H,2-5H2,1H3
InChIKey
SJDHPBRXZQMFAJ-UHFFFAOYSA-N
Compound name
5-ethyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.1266 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.13388 143.2
[M+Na]+ 212.11582 151.3
[M-H]- 188.11932 141.3
[M+NH4]+ 207.16042 162.7
[M+K]+ 228.08976 146.7
[M+H-H2O]+ 172.12386 135.5
[M+HCOO]- 234.12480 157.5
[M+CH3COO]- 248.14045 154.3
[M+Na-2H]- 210.10127 149.4
[M]+ 189.12605 140.2
[M]- 189.12715 140.2
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.