CID 36281

1,2,3,3a,8,8a-hexahydro-1-methyl-3a-propylindeno(2,1-b)pyrrole hydrochloride

Structural Information

Molecular Formula
C15H21N
SMILES
CCCC12CCN(C1CC3=CC=CC=C23)C
InChI
InChI=1S/C15H21N/c1-3-8-15-9-10-16(2)14(15)11-12-6-4-5-7-13(12)15/h4-7,14H,3,8-11H2,1-2H3
InChIKey
OVJCJZDDOSWLQY-UHFFFAOYSA-N
Compound name
3-methyl-8b-propyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.1674 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.17468 153.0
[M+Na]+ 238.15662 161.4
[M-H]- 214.16012 157.0
[M+NH4]+ 233.20122 178.3
[M+K]+ 254.13056 157.0
[M+H-H2O]+ 198.16466 147.0
[M+HCOO]- 260.16560 172.7
[M+CH3COO]- 274.18125 165.8
[M+Na-2H]- 236.14207 156.0
[M]+ 215.16685 152.7
[M]- 215.16795 152.7
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.