CID 24278639

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

Structural Information

Molecular Formula
C11H16N2
SMILES
CC(C)N1CC2=C(C1)C(=CC=C2)N
InChI
InChI=1S/C11H16N2/c1-8(2)13-6-9-4-3-5-11(12)10(9)7-13/h3-5,8H,6-7,12H2,1-2H3
InChIKey
APJPGQBMXQDZDA-UHFFFAOYSA-N
Compound name
2-propan-2-yl-1,3-dihydroisoindol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.13135 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.138626 139.9
[M+Na]+ 199.120568 147.6
[M-H]- 175.124074 142.8
[M+NH4]+ 194.165173 161.5
[M+K]+ 215.094508 144.7
[M+H-H2O]+ 159.128610 133.7
[M+HCOO]- 221.129551 161.2
[M+CH3COO]- 235.145201 185.0
[M+Na-2H]- 197.106016 143.5
[M]+ 176.13080142 137.6
[M]- 176.13189858 137.6
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.