CID 43370190

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

Structural Information

Molecular Formula
C11H16N2
SMILES
CCCN1CC2=C(C1)C(=CC=C2)N
InChI
InChI=1S/C11H16N2/c1-2-6-13-7-9-4-3-5-11(12)10(9)8-13/h3-5H,2,6-8,12H2,1H3
InChIKey
JBIZIGZHQMDVHR-UHFFFAOYSA-N
Compound name
2-propyl-1,3-dihydroisoindol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.13135 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.138626 139.2
[M+Na]+ 199.120568 147.2
[M-H]- 175.124074 141.9
[M+NH4]+ 194.165173 160.9
[M+K]+ 215.094508 143.8
[M+H-H2O]+ 159.128610 132.8
[M+HCOO]- 221.129551 161.5
[M+CH3COO]- 235.145201 184.1
[M+Na-2H]- 197.106016 144.0
[M]+ 176.13080142 137.5
[M]- 176.13189858 137.5
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

No patent data available for this compound.