CID 138005707

2243505-39-5

Structural Information

Molecular Formula
C12H24N2O2
SMILES
CC1CNCC(N(C1)C(=O)OC(C)(C)C)C
InChI
InChI=1S/C12H24N2O2/c1-9-6-13-7-10(2)14(8-9)11(15)16-12(3,4)5/h9-10,13H,6-8H2,1-5H3
InChIKey
SZYKEFDUYXJPLR-UHFFFAOYSA-N
Compound name
tert-butyl 2,6-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 153.3
[M+Na]+ 251.17300 160.2
[M+NH4]+ 246.21760 158.3
[M+K]+ 267.14694 158.1
[M-H]- 227.17650 151.6
[M+Na-2H]- 249.15845 155.2
[M]+ 228.18323 153.5
[M]- 228.18433 153.5
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.