CID 24278641

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

Structural Information

Molecular Formula
C12H18N2
SMILES
CC(C)CN1CC2=C(C1)C(=CC=C2)N
InChI
InChI=1S/C12H18N2/c1-9(2)6-14-7-10-4-3-5-12(13)11(10)8-14/h3-5,9H,6-8,13H2,1-2H3
InChIKey
ZBDAIRHLVCVACH-UHFFFAOYSA-N
Compound name
2-(2-methylpropyl)-1,3-dihydroisoindol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.147 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.15428 144.6
[M+Na]+ 213.13622 151.9
[M-H]- 189.13972 147.2
[M+NH4]+ 208.18082 165.6
[M+K]+ 229.11016 148.7
[M+H-H2O]+ 173.14426 138.1
[M+HCOO]- 235.14520 165.5
[M+CH3COO]- 249.16085 188.0
[M+Na-2H]- 211.12167 147.6
[M]+ 190.14645 142.6
[M]- 190.14755 142.6
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.