CID 117023636

2,2,4-trimethyl-1,4-diazepan-5-one

Structural Information

Molecular Formula
C8H16N2O
SMILES
CC1(CN(C(=O)CCN1)C)C
InChI
InChI=1S/C8H16N2O/c1-8(2)6-10(3)7(11)4-5-9-8/h9H,4-6H2,1-3H3
InChIKey
UQHCFVBFIIPBBV-UHFFFAOYSA-N
Compound name
2,2,4-trimethyl-1,4-diazepan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.12627 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.13355 129.6
[M+Na]+ 179.11549 135.2
[M-H]- 155.11899 130.3
[M+NH4]+ 174.16009 148.1
[M+K]+ 195.08943 137.4
[M+H-H2O]+ 139.12353 123.1
[M+HCOO]- 201.12447 145.9
[M+CH3COO]- 215.14012 177.3
[M+Na-2H]- 177.10094 134.5
[M]+ 156.12572 122.8
[M]- 156.12682 122.8
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.