CID 75525018

Tert-butyl 4-[(pyridin-2-ylmethyl)amino]azepane-1-carboxylate

Structural Information

Molecular Formula
C17H27N3O2
SMILES
CC(C)(C)OC(=O)N1CCCC(CC1)NCC2=CC=CC=N2
InChI
InChI=1S/C17H27N3O2/c1-17(2,3)22-16(21)20-11-6-8-14(9-12-20)19-13-15-7-4-5-10-18-15/h4-5,7,10,14,19H,6,8-9,11-13H2,1-3H3
InChIKey
AXIDLPUTKNXRHE-UHFFFAOYSA-N
Compound name
tert-butyl 4-(pyridin-2-ylmethylamino)azepane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.21033 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.21761 175.4
[M+Na]+ 328.19955 183.0
[M+NH4]+ 323.24415 180.6
[M+K]+ 344.17349 179.1
[M-H]- 304.20305 176.8
[M+Na-2H]- 326.18500 180.3
[M]+ 305.20978 176.7
[M]- 305.21088 176.7
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.