CID 165603732

4-(pyrrolidin-1-yl)-2,3-dihydro-1h-isoindole dihydrochloride

Structural Information

Molecular Formula
C12H16N2
SMILES
C1CCN(C1)C2=CC=CC3=C2CNC3
InChI
InChI=1S/C12H16N2/c1-2-7-14(6-1)12-5-3-4-10-8-13-9-11(10)12/h3-5,13H,1-2,6-9H2
InChIKey
VTQDNSLYRMIAEM-UHFFFAOYSA-N
Compound name
4-pyrrolidin-1-yl-2,3-dihydro-1H-isoindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.13135 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.13863 143.1
[M+Na]+ 211.12057 149.3
[M-H]- 187.12407 146.1
[M+NH4]+ 206.16517 163.6
[M+K]+ 227.09451 145.2
[M+H-H2O]+ 171.12861 135.4
[M+HCOO]- 233.12955 161.2
[M+CH3COO]- 247.14520 154.8
[M+Na-2H]- 209.10602 145.2
[M]+ 188.13080 137.2
[M]- 188.13190 137.2
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.