CID 59510501

Tert-butyl 2-(aminomethyl)-1,4-oxazepane-4-carboxylate

Structural Information

Molecular Formula
C11H22N2O3
SMILES
CC(C)(C)OC(=O)N1CCCOC(C1)CN
InChI
InChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-5-4-6-15-9(7-12)8-13/h9H,4-8,12H2,1-3H3
InChIKey
YYTTWCYIKQDAMJ-UHFFFAOYSA-N
Compound name
tert-butyl 2-(aminomethyl)-1,4-oxazepane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

230.16304 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.17032 149.1
[M+Na]+ 253.15226 151.5
[M-H]- 229.15576 151.9
[M+NH4]+ 248.19686 162.9
[M+K]+ 269.12620 157.0
[M+H-H2O]+ 213.16030 142.2
[M+HCOO]- 275.16124 164.7
[M+CH3COO]- 289.17689 192.2
[M+Na-2H]- 251.13771 152.4
[M]+ 230.16249 144.4
[M]- 230.16359 144.4
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