CID 138987591

Tert-butyl 5,7-dimethyl-1,4-diazepane-1-carboxylate

Structural Information

Molecular Formula
C12H24N2O2
SMILES
CC1CC(N(CCN1)C(=O)OC(C)(C)C)C
InChI
InChI=1S/C12H24N2O2/c1-9-8-10(2)14(7-6-13-9)11(15)16-12(3,4)5/h9-10,13H,6-8H2,1-5H3
InChIKey
WHVGKESWDHMHIR-UHFFFAOYSA-N
Compound name
tert-butyl 5,7-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

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.19106 150.0
[M+Na]+ 251.17300 153.5
[M-H]- 227.17650 150.3
[M+NH4]+ 246.21760 164.2
[M+K]+ 267.14694 156.7
[M+H-H2O]+ 211.18104 143.0
[M+HCOO]- 273.18198 163.0
[M+CH3COO]- 287.19763 190.3
[M+Na-2H]- 249.15845 151.6
[M]+ 228.18323 144.5
[M]- 228.18433 144.5
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

No patent data available for this compound.