CID 84048218

Tert-butyl 6-amino-5-oxo-1,4-diazepane-1-carboxylate

Structural Information

Molecular Formula
C10H19N3O3
SMILES
CC(C)(C)OC(=O)N1CCNC(=O)C(C1)N
InChI
InChI=1S/C10H19N3O3/c1-10(2,3)16-9(15)13-5-4-12-8(14)7(11)6-13/h7H,4-6,11H2,1-3H3,(H,12,14)
InChIKey
YTQYEGYJKBWVBV-UHFFFAOYSA-N
Compound name
tert-butyl 6-amino-5-oxo-1,4-diazepane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.14264 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.14992 149.1
[M+Na]+ 252.13186 152.8
[M-H]- 228.13536 149.3
[M+NH4]+ 247.17646 162.5
[M+K]+ 268.10580 156.6
[M+H-H2O]+ 212.13990 141.6
[M+HCOO]- 274.14084 163.5
[M+CH3COO]- 288.15649 190.0
[M+Na-2H]- 250.11731 151.0
[M]+ 229.14209 142.0
[M]- 229.14319 142.0
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.