CID 23068067

Tert-butyl 3-aminoazepane-1-carboxylate

Structural Information

Molecular Formula
C11H22N2O2
SMILES
CC(C)(C)OC(=O)N1CCCCC(C1)N
InChI
InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-7-5-4-6-9(12)8-13/h9H,4-8,12H2,1-3H3
InChIKey
WXWILWLHHQGUCX-UHFFFAOYSA-N
Compound name
tert-butyl 3-aminoazepane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

321
Patents

214.16812 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.175396 146.1
[M+Na]+ 237.157338 148.6
[M-H]- 213.160844 148.4
[M+NH4]+ 232.201943 161.9
[M+K]+ 253.131278 152.8
[M+H-H2O]+ 197.165380 139.7
[M+HCOO]- 259.166321 162.4
[M+CH3COO]- 273.181971 190.2
[M+Na-2H]- 235.142786 148.5
[M]+ 214.16757142 139.5
[M]- 214.16866858 139.5
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