CID 129930336

1h,2h,3h,4h,6h,7h,8h,9h-cyclohexa[g]isoquinoline hydrochloride

Structural Information

Molecular Formula
C13H17N
SMILES
C1CCC2=CC3=C(CCNC3)C=C2C1
InChI
InChI=1S/C13H17N/c1-2-4-11-8-13-9-14-6-5-12(13)7-10(11)3-1/h7-8,14H,1-6,9H2
InChIKey
VPBJJTJJINLDOF-UHFFFAOYSA-N
Compound name
1,2,3,4,6,7,8,9-octahydrobenzo[g]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.1361 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.14338 140.7
[M+Na]+ 210.12532 145.6
[M-H]- 186.12882 141.9
[M+NH4]+ 205.16992 160.0
[M+K]+ 226.09926 140.7
[M+H-H2O]+ 170.13336 133.5
[M+HCOO]- 232.13430 155.0
[M+CH3COO]- 246.14995 151.4
[M+Na-2H]- 208.11077 147.8
[M]+ 187.13555 132.7
[M]- 187.13665 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

No patent data available for this compound.