CID 150782304

Tert-butyl 2,2-dimethyl-1,4-diazepane-1-carboxylate

Structural Information

Molecular Formula
C12H24N2O2
SMILES
CC1(CNCCCN1C(=O)OC(C)(C)C)C
InChI
InChI=1S/C12H24N2O2/c1-11(2,3)16-10(15)14-8-6-7-13-9-12(14,4)5/h13H,6-9H2,1-5H3
InChIKey
KCDIAWDNBUVRFB-UHFFFAOYSA-N
Compound name
tert-butyl 2,2-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 151.1
[M+Na]+ 251.17300 157.8
[M+NH4]+ 246.21760 157.5
[M+K]+ 267.14694 154.2
[M-H]- 227.17650 149.4
[M+Na-2H]- 249.15845 154.9
[M]+ 228.18323 151.5
[M]- 228.18433 151.5
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.