CID 165935249

1-acetyl-7,7-dimethyl-1,4-diazepan-5-one

Structural Information

Molecular Formula
C9H16N2O2
SMILES
CC(=O)N1CCNC(=O)CC1(C)C
InChI
InChI=1S/C9H16N2O2/c1-7(12)11-5-4-10-8(13)6-9(11,2)3/h4-6H2,1-3H3,(H,10,13)
InChIKey
YWJFGMHRKNETFU-UHFFFAOYSA-N
Compound name
1-acetyl-7,7-dimethyl-1,4-diazepan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.12119 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.12847 135.2
[M+Na]+ 207.11041 140.5
[M-H]- 183.11391 135.9
[M+NH4]+ 202.15501 152.6
[M+K]+ 223.08435 143.1
[M+H-H2O]+ 167.11845 128.7
[M+HCOO]- 229.11939 150.7
[M+CH3COO]- 243.13504 181.4
[M+Na-2H]- 205.09586 138.6
[M]+ 184.12064 128.9
[M]- 184.12174 128.9
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.