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]+ 216.174676 152.5
[M+Na]+ 238.156618 158.6
[M-H]- 214.160124 154.1
[M+NH4]+ 233.201223 174.8
[M+K]+ 254.130558 153.2
[M+H-H2O]+ 198.164660 145.6
[M+HCOO]- 260.165601 168.3
[M+CH3COO]- 274.181251 163.4
[M+Na-2H]- 236.142066 157.4
[M]+ 215.16685142 147.6
[M]- 215.16794858 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.