CID 43370062

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

Structural Information

Molecular Formula
C13H20N2
SMILES
CC(C)CCN1CC2=C(C1)C(=CC=C2)N
InChI
InChI=1S/C13H20N2/c1-10(2)6-7-15-8-11-4-3-5-13(14)12(11)9-15/h3-5,10H,6-9,14H2,1-2H3
InChIKey
QTLRHWWBDAJTOF-UHFFFAOYSA-N
Compound name
2-(3-methylbutyl)-1,3-dihydroisoindol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.16264 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.16992 149.3
[M+Na]+ 227.15186 156.1
[M-H]- 203.15536 151.7
[M+NH4]+ 222.19646 169.7
[M+K]+ 243.12580 152.7
[M+H-H2O]+ 187.15990 142.6
[M+HCOO]- 249.16084 169.8
[M+CH3COO]- 263.17649 191.0
[M+Na-2H]- 225.13731 151.7
[M]+ 204.16209 147.6
[M]- 204.16319 147.6
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.