CID 46942317

1263279-83-9

Structural Information

Molecular Formula
C16H24N2O2
SMILES
CC(C)(C)OC(=O)N(C)CC1CCNC2=CC=CC=C12
InChI
InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18(4)11-12-9-10-17-14-8-6-5-7-13(12)14/h5-8,12,17H,9-11H2,1-4H3
InChIKey
RYXLFOJVPDESCB-UHFFFAOYSA-N
Compound name
tert-butyl N-methyl-N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.18378 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.19106 167.4
[M+Na]+ 299.17300 171.4
[M-H]- 275.17650 169.4
[M+NH4]+ 294.21760 182.9
[M+K]+ 315.14694 169.3
[M+H-H2O]+ 259.18104 160.0
[M+HCOO]- 321.18198 183.3
[M+CH3COO]- 335.19763 202.5
[M+Na-2H]- 297.15845 171.3
[M]+ 276.18323 166.0
[M]- 276.18433 166.0
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.