CID 63034548

1,8,11-triazatricyclo[7.4.0.0,2,7]trideca-2(7),8-diene hydrochloride

Structural Information

Molecular Formula
C10H15N3
SMILES
C1CCC2=C(C1)N=C3N2CCNC3
InChI
InChI=1S/C10H15N3/c1-2-4-9-8(3-1)12-10-7-11-5-6-13(9)10/h11H,1-7H2
InChIKey
MPHXLYMLFSCIFW-UHFFFAOYSA-N
Compound name
1,2,3,4,6,7,8,9-octahydropyrazino[1,2-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

177.1266 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.13388 139.8
[M+Na]+ 200.11582 146.0
[M-H]- 176.11932 138.6
[M+NH4]+ 195.16042 158.7
[M+K]+ 216.08976 141.9
[M+H-H2O]+ 160.12386 131.5
[M+HCOO]- 222.12480 153.2
[M+CH3COO]- 236.14045 150.4
[M+Na-2H]- 198.10127 145.2
[M]+ 177.12605 132.7
[M]- 177.12715 132.7
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

patents stripe