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]+ 212.11823 145.6
[M+Na]+ 234.10017 154.2
[M-H]- 210.10367 150.4
[M+NH4]+ 229.14477 164.0
[M+K]+ 250.07411 149.3
[M+H-H2O]+ 194.10821 137.1
[M+HCOO]- 256.10915 167.4
[M+CH3COO]- 270.12480 158.2
[M+Na-2H]- 232.08562 151.7
[M]+ 211.11040 142.7
[M]- 211.11150 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.