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]+ 185.128466 135.2
[M+Na]+ 207.110408 140.5
[M-H]- 183.113914 135.9
[M+NH4]+ 202.155013 152.6
[M+K]+ 223.084348 143.1
[M+H-H2O]+ 167.118450 128.7
[M+HCOO]- 229.119391 150.7
[M+CH3COO]- 243.135041 181.4
[M+Na-2H]- 205.095856 138.6
[M]+ 184.12064142 128.9
[M]- 184.12173858 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.