CID 24278650

2-(pyridin-2-yl)-2,3-dihydro-1h-isoindol-4-amine

Structural Information

Molecular Formula
C13H13N3
SMILES
C1C2=C(CN1C3=CC=CC=N3)C(=CC=C2)N
InChI
InChI=1S/C13H13N3/c14-12-5-3-4-10-8-16(9-11(10)12)13-6-1-2-7-15-13/h1-7H,8-9,14H2
InChIKey
AQBWQDXBAHASJB-UHFFFAOYSA-N
Compound name
2-pyridin-2-yl-1,3-dihydroisoindol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.11095 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.118226 145.6
[M+Na]+ 234.100168 154.2
[M-H]- 210.103674 150.4
[M+NH4]+ 229.144773 164.0
[M+K]+ 250.074108 149.3
[M+H-H2O]+ 194.108210 137.1
[M+HCOO]- 256.109151 167.4
[M+CH3COO]- 270.124801 158.2
[M+Na-2H]- 232.085616 151.7
[M]+ 211.11040142 142.7
[M]- 211.11149858 142.7
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.