CID 2760254

1-cbz-[1,4]diazepan-5-one

Structural Information

Molecular Formula
C13H16N2O3
SMILES
C1CN(CCNC1=O)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C13H16N2O3/c16-12-6-8-15(9-7-14-12)13(17)18-10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,14,16)
InChIKey
FWIFVWFHEUKZII-UHFFFAOYSA-N
Compound name
benzyl 5-oxo-1,4-diazepane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

248.11609 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.12337 156.0
[M+Na]+ 271.10531 164.9
[M+NH4]+ 266.14991 161.4
[M+K]+ 287.07925 161.1
[M-H]- 247.10881 156.7
[M+Na-2H]- 269.09076 161.2
[M]+ 248.11554 157.1
[M]- 248.11664 157.1
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