CID 132316039

2137737-44-9

Structural Information

Molecular Formula
C16H24N2O2
SMILES
CC(C)(C)OC(=O)NCCC1CC2=CC=CC=C2NC1
InChI
InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)17-9-8-12-10-13-6-4-5-7-14(13)18-11-12/h4-7,12,18H,8-11H2,1-3H3,(H,17,19)
InChIKey
YXSNSUVQYFKYIZ-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-(1,2,3,4-tetrahydroquinolin-3-yl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.18378 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.19106 167.8
[M+Na]+ 299.17300 171.7
[M-H]- 275.17650 168.4
[M+NH4]+ 294.21760 182.7
[M+K]+ 315.14694 168.2
[M+H-H2O]+ 259.18104 160.6
[M+HCOO]- 321.18198 183.3
[M+CH3COO]- 335.19763 199.2
[M+Na-2H]- 297.15845 172.5
[M]+ 276.18323 165.3
[M]- 276.18433 165.3
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.