CID 144235140

Tert-butyl 6-methoxy-1,4-diazepane-1-carboxylate

Structural Information

Molecular Formula
C11H22N2O3
SMILES
CC(C)(C)OC(=O)N1CCNCC(C1)OC
InChI
InChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-6-5-12-7-9(8-13)15-4/h9,12H,5-8H2,1-4H3
InChIKey
LCBBKOMEAVMZNC-UHFFFAOYSA-N
Compound name
tert-butyl 6-methoxy-1,4-diazepane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.16304 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.17032 149.1
[M+Na]+ 253.15226 152.1
[M-H]- 229.15576 149.2
[M+NH4]+ 248.19686 162.9
[M+K]+ 269.12620 156.0
[M+H-H2O]+ 213.16030 141.8
[M+HCOO]- 275.16124 162.6
[M+CH3COO]- 289.17689 188.3
[M+Na-2H]- 251.13771 151.9
[M]+ 230.16249 144.3
[M]- 230.16359 144.3
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.