CID 60707887

1-acetyl-1,4-diazepan-5-one

Structural Information

Molecular Formula
C7H12N2O2
SMILES
CC(=O)N1CCC(=O)NCC1
InChI
InChI=1S/C7H12N2O2/c1-6(10)9-4-2-7(11)8-3-5-9/h2-5H2,1H3,(H,8,11)
InChIKey
VBHHQCFPKDZJGQ-UHFFFAOYSA-N
Compound name
1-acetyl-1,4-diazepan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

156.08987 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.09715 130.8
[M+Na]+ 179.07909 138.6
[M+NH4]+ 174.12369 136.5
[M+K]+ 195.05303 136.2
[M-H]- 155.08259 129.6
[M+Na-2H]- 177.06454 134.2
[M]+ 156.08932 131.1
[M]- 156.09042 131.1
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