CID 208745

32920-67-5

Structural Information

Molecular Formula
C15H21N
SMILES
CCCC12CCNC1CCC3=CC=CC=C23
InChI
InChI=1S/C15H21N/c1-2-9-15-10-11-16-14(15)8-7-12-5-3-4-6-13(12)15/h3-6,14,16H,2,7-11H2,1H3
InChIKey
YTZHBQXDKKJPED-UHFFFAOYSA-N
Compound name
9b-propyl-1,2,3,3a,4,5-hexahydrobenzo[e]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.1674 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.17468 152.5
[M+Na]+ 238.15662 158.6
[M-H]- 214.16012 154.1
[M+NH4]+ 233.20122 174.8
[M+K]+ 254.13056 153.2
[M+H-H2O]+ 198.16466 145.6
[M+HCOO]- 260.16560 168.3
[M+CH3COO]- 274.18125 163.4
[M+Na-2H]- 236.14207 157.4
[M]+ 215.16685 147.6
[M]- 215.16795 147.6
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.