CID 43175774

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

Structural Information

Molecular Formula
C13H20N2O
SMILES
CCOCCCN1CC2=C(C1)C=C(C=C2)N
InChI
InChI=1S/C13H20N2O/c1-2-16-7-3-6-15-9-11-4-5-13(14)8-12(11)10-15/h4-5,8H,2-3,6-7,9-10,14H2,1H3
InChIKey
NJNJHDULCWSORL-UHFFFAOYSA-N
Compound name
2-(3-ethoxypropyl)-1,3-dihydroisoindol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.15756 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.16484 151.5
[M+Na]+ 243.14678 158.4
[M-H]- 219.15028 153.8
[M+NH4]+ 238.19138 171.2
[M+K]+ 259.12072 155.1
[M+H-H2O]+ 203.15482 144.4
[M+HCOO]- 265.15576 173.2
[M+CH3COO]- 279.17141 192.2
[M+Na-2H]- 241.13223 155.2
[M]+ 220.15701 151.9
[M]- 220.15811 151.9
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.