CID 10822534

(s)-tert-butyl azepan-3-ylcarbamate

Structural Information

Molecular Formula
C11H22N2O2
SMILES
CC(C)(C)OC(=O)N[C@H]1CCCCNC1
InChI
InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-9-6-4-5-7-12-8-9/h9,12H,4-8H2,1-3H3,(H,13,14)/t9-/m0/s1
InChIKey
NZEPWAXJSWYEDV-VIFPVBQESA-N
Compound name
tert-butyl N-[(3S)-azepan-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

192
Patents

214.16812 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.17540 149.4
[M+Na]+ 237.15734 154.8
[M+NH4]+ 232.20194 154.9
[M+K]+ 253.13128 152.7
[M-H]- 213.16084 148.6
[M+Na-2H]- 235.14279 152.1
[M]+ 214.16757 149.6
[M]- 214.16867 149.6
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

patents stripe