CID 178200041

Tert-butyl 3,3-dimethyl-5-oxo-1,4-diazepane-1-carboxylate

Structural Information

Molecular Formula
C12H22N2O3
SMILES
CC1(CN(CCC(=O)N1)C(=O)OC(C)(C)C)C
InChI
InChI=1S/C12H22N2O3/c1-11(2,3)17-10(16)14-7-6-9(15)13-12(4,5)8-14/h6-8H2,1-5H3,(H,13,15)
InChIKey
DMNBRUOYFZOGQY-UHFFFAOYSA-N
Compound name
tert-butyl 3,3-dimethyl-5-oxo-1,4-diazepane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.16304 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.17032 150.5
[M+Na]+ 265.15226 155.1
[M-H]- 241.15576 151.1
[M+NH4]+ 260.19686 165.9
[M+K]+ 281.12620 158.2
[M+H-H2O]+ 225.16030 144.2
[M+HCOO]- 287.16124 163.8
[M+CH3COO]- 301.17689 191.0
[M+Na-2H]- 263.13771 153.5
[M]+ 242.16249 146.0
[M]- 242.16359 146.0
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.