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

3
Patents

228.18378 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.191056 149.7
[M+Na]+ 251.172998 153.2
[M-H]- 227.176504 149.9
[M+NH4]+ 246.217603 165.5
[M+K]+ 267.146938 156.2
[M+H-H2O]+ 211.181040 143.1
[M+HCOO]- 273.181981 162.7
[M+CH3COO]- 287.197631 188.7
[M+Na-2H]- 249.158446 153.1
[M]+ 228.18323142 144.1
[M]- 228.18432858 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

patents stripe