CID 43370059

2-butyl-2,3-dihydro-1h-isoindol-4-amine

Structural Information

Molecular Formula
C12H18N2
SMILES
CCCCN1CC2=C(C1)C(=CC=C2)N
InChI
InChI=1S/C12H18N2/c1-2-3-7-14-8-10-5-4-6-12(13)11(10)9-14/h4-6H,2-3,7-9,13H2,1H3
InChIKey
MZJPCZPYCHIABC-UHFFFAOYSA-N
Compound name
2-butyl-1,3-dihydroisoindol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.147 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.15428 143.8
[M+Na]+ 213.13622 151.4
[M-H]- 189.13972 146.4
[M+NH4]+ 208.18082 164.9
[M+K]+ 229.11016 147.8
[M+H-H2O]+ 173.14426 137.2
[M+HCOO]- 235.14520 165.8
[M+CH3COO]- 249.16085 187.1
[M+Na-2H]- 211.12167 148.1
[M]+ 190.14645 142.5
[M]- 190.14755 142.5
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

patents stripe