CID 165879226

1824204-98-9

Structural Information

Molecular Formula
C15H22N2O2
SMILES
CC(C)(C)OC(=O)N1CC2=C(C1)C(=CC=C2)CCN
InChI
InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-9-12-6-4-5-11(7-8-16)13(12)10-17/h4-6H,7-10,16H2,1-3H3
InChIKey
HHJIDBQOZKVQBY-UHFFFAOYSA-N
Compound name
tert-butyl 4-(2-aminoethyl)-1,3-dihydroisoindole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.16812 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.17540 164.6
[M+Na]+ 285.15734 171.2
[M-H]- 261.16084 167.2
[M+NH4]+ 280.20194 182.8
[M+K]+ 301.13128 168.5
[M+H-H2O]+ 245.16538 158.2
[M+HCOO]- 307.16632 183.5
[M+CH3COO]- 321.18197 198.7
[M+Na-2H]- 283.14279 167.0
[M]+ 262.16757 165.1
[M]- 262.16867 165.1
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.