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]+ 216.174676 153.0
[M+Na]+ 238.156618 161.4
[M-H]- 214.160124 157.0
[M+NH4]+ 233.201223 178.3
[M+K]+ 254.130558 157.0
[M+H-H2O]+ 198.164660 147.0
[M+HCOO]- 260.165601 172.7
[M+CH3COO]- 274.181251 165.8
[M+Na-2H]- 236.142066 156.0
[M]+ 215.16685142 152.7
[M]- 215.16794858 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.