CID 43370061

2-(3-methylbutyl)-2,3-dihydro-1h-isoindol-5-amine

Structural Information

Molecular Formula
C13H20N2
SMILES
CC(C)CCN1CC2=C(C1)C=C(C=C2)N
InChI
InChI=1S/C13H20N2/c1-10(2)5-6-15-8-11-3-4-13(14)7-12(11)9-15/h3-4,7,10H,5-6,8-9,14H2,1-2H3
InChIKey
IVAPZPHQPAQHHW-UHFFFAOYSA-N
Compound name
2-(3-methylbutyl)-1,3-dihydroisoindol-5-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]+ 205.169916 149.3
[M+Na]+ 227.151858 156.1
[M-H]- 203.155364 151.7
[M+NH4]+ 222.196463 169.7
[M+K]+ 243.125798 152.7
[M+H-H2O]+ 187.159900 142.6
[M+HCOO]- 249.160841 169.8
[M+CH3COO]- 263.176491 191.0
[M+Na-2H]- 225.137306 151.7
[M]+ 204.16209142 147.6
[M]- 204.16318858 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.