CID 179345

1h,2h,3h,4h,6h,7h,11bh-piperazino[2,1-a]isoquinoline dihydrochloride

Structural Information

Molecular Formula
C12H16N2
SMILES
C1CN2CCNCC2C3=CC=CC=C31
InChI
InChI=1S/C12H16N2/c1-2-4-11-10(3-1)5-7-14-8-6-13-9-12(11)14/h1-4,12-13H,5-9H2
InChIKey
SCVCXWHEHAKJCG-UHFFFAOYSA-N
Compound name
2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

188.13135 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.13863 141.4
[M+Na]+ 211.12057 146.8
[M-H]- 187.12407 141.3
[M+NH4]+ 206.16517 159.3
[M+K]+ 227.09451 142.0
[M+H-H2O]+ 171.12861 133.3
[M+HCOO]- 233.12955 154.7
[M+CH3COO]- 247.14520 151.7
[M+Na-2H]- 209.10602 149.1
[M]+ 188.13080 133.6
[M]- 188.13190 133.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe