CID 122163277

1955523-55-3

Structural Information

Molecular Formula
C16H24N2O2
SMILES
CC(C)(C)OC(=O)N1C(CCC2=CC=CC=C21)CCN
InChI
InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-13(10-11-17)9-8-12-6-4-5-7-14(12)18/h4-7,13H,8-11,17H2,1-3H3
InChIKey
HJOHGQJEJQKPIL-UHFFFAOYSA-N
Compound name
tert-butyl 2-(2-aminoethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.18378 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.191056 168.3
[M+Na]+ 299.172998 173.6
[M-H]- 275.176504 170.2
[M+NH4]+ 294.217603 184.0
[M+K]+ 315.146938 170.7
[M+H-H2O]+ 259.181040 161.1
[M+HCOO]- 321.181981 184.6
[M+CH3COO]- 335.197631 202.3
[M+Na-2H]- 297.158446 171.6
[M]+ 276.18323142 167.0
[M]- 276.18432858 167.0
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.