CID 83693777

1-benzyl-3-(3-methylphenyl)pyrrolidin-3-amine dihydrochloride

Structural Information

Molecular Formula
C18H22N2
SMILES
CC1=CC(=CC=C1)C2(CCN(C2)CC3=CC=CC=C3)N
InChI
InChI=1S/C18H22N2/c1-15-6-5-9-17(12-15)18(19)10-11-20(14-18)13-16-7-3-2-4-8-16/h2-9,12H,10-11,13-14,19H2,1H3
InChIKey
BZCQFLDIEQPCRX-UHFFFAOYSA-N
Compound name
1-benzyl-3-(3-methylphenyl)pyrrolidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.17828 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.18556 163.9
[M+Na]+ 289.16750 170.1
[M-H]- 265.17100 171.6
[M+NH4]+ 284.21210 182.0
[M+K]+ 305.14144 164.7
[M+H-H2O]+ 249.17554 155.1
[M+HCOO]- 311.17648 185.5
[M+CH3COO]- 325.19213 175.2
[M+Na-2H]- 287.15295 166.6
[M]+ 266.17773 159.6
[M]- 266.17883 159.6
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.