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]+ 177.13863 139.9
[M+Na]+ 199.12057 147.6
[M-H]- 175.12407 142.8
[M+NH4]+ 194.16517 161.5
[M+K]+ 215.09451 144.7
[M+H-H2O]+ 159.12861 133.7
[M+HCOO]- 221.12955 161.2
[M+CH3COO]- 235.14520 185.0
[M+Na-2H]- 197.10602 143.5
[M]+ 176.13080 137.6
[M]- 176.13190 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.