CID 210072

1,2,6,7,8,8a-hexahydro-1-(3-(dimethylamino)propyl)benz(cd)indole dihydrochloride hydrate

Structural Information

Molecular Formula
C16H24N2
SMILES
CN(C)CCCN1CC2=CC=CC3=C2C1CCC3
InChI
InChI=1S/C16H24N2/c1-17(2)10-5-11-18-12-14-8-3-6-13-7-4-9-15(18)16(13)14/h3,6,8,15H,4-5,7,9-12H2,1-2H3
InChIKey
GXXBOMGOGDTOQY-UHFFFAOYSA-N
Compound name
3-(6,7,8,8a-tetrahydro-2H-benzo[cd]indol-1-yl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.19395 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.201226 160.0
[M+Na]+ 267.183168 165.0
[M-H]- 243.186674 163.5
[M+NH4]+ 262.227773 180.6
[M+K]+ 283.157108 161.8
[M+H-H2O]+ 227.191210 152.2
[M+HCOO]- 289.192151 178.5
[M+CH3COO]- 303.207801 202.7
[M+Na-2H]- 265.168616 163.4
[M]+ 244.19340142 159.8
[M]- 244.19449858 159.8
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.