CID 84692068

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

Structural Information

Molecular Formula
C12H24N2O2
SMILES
CC1(CCN(CCN1)C(=O)OC(C)(C)C)C
InChI
InChI=1S/C12H24N2O2/c1-11(2,3)16-10(15)14-8-6-12(4,5)13-7-9-14/h13H,6-9H2,1-5H3
InChIKey
WGLNQXVSRLAUNX-UHFFFAOYSA-N
Compound name
tert-butyl 5,5-dimethyl-1,4-diazepane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.18378 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.19106 149.7
[M+Na]+ 251.17300 153.2
[M-H]- 227.17650 149.9
[M+NH4]+ 246.21760 165.5
[M+K]+ 267.14694 156.2
[M+H-H2O]+ 211.18104 143.1
[M+HCOO]- 273.18198 162.7
[M+CH3COO]- 287.19763 188.7
[M+Na-2H]- 249.15845 153.1
[M]+ 228.18323 144.1
[M]- 228.18433 144.1
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.