CID 3063308

1,2,3a,4,5,9b-hexahydro-8-hydroxy-3-methyl-9b-propyl-3h-benz(e)indole, hydrochloride

Structural Information

Molecular Formula
C16H23NO
SMILES
CCCC12CCNC1CC(C3=C2C=C(C=C3)O)C
InChI
InChI=1S/C16H23NO/c1-3-6-16-7-8-17-15(16)9-11(2)13-5-4-12(18)10-14(13)16/h4-5,10-11,15,17-18H,3,6-9H2,1-2H3
InChIKey
FTASIYROOLUZMP-UHFFFAOYSA-N
Compound name
5-methyl-9b-propyl-1,2,3,3a,4,5-hexahydrobenzo[e]indol-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.17796 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.18524 160.2
[M+Na]+ 268.16718 167.3
[M-H]- 244.17068 161.1
[M+NH4]+ 263.21178 181.2
[M+K]+ 284.14112 161.4
[M+H-H2O]+ 228.17522 154.2
[M+HCOO]- 290.17616 174.4
[M+CH3COO]- 304.19181 170.7
[M+Na-2H]- 266.15263 163.1
[M]+ 245.17741 156.2
[M]- 245.17851 156.2
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.