CID 55298879

(3r)-3-ethyl-1,4-diazepan-2-one

Structural Information

Molecular Formula
C7H14N2O
SMILES
CC[C@@H]1C(=O)NCCCN1
InChI
InChI=1S/C7H14N2O/c1-2-6-7(10)9-5-3-4-8-6/h6,8H,2-5H2,1H3,(H,9,10)/t6-/m1/s1
InChIKey
SGCXXMVKFMVWMF-ZCFIWIBFSA-N
Compound name
(3R)-3-ethyl-1,4-diazepan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.11061 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.11789 127.9
[M+Na]+ 165.09983 131.7
[M-H]- 141.10333 126.7
[M+NH4]+ 160.14443 144.0
[M+K]+ 181.07377 133.5
[M+H-H2O]+ 125.10787 120.9
[M+HCOO]- 187.10881 143.0
[M+CH3COO]- 201.12446 171.3
[M+Na-2H]- 163.08528 132.2
[M]+ 142.11006 118.4
[M]- 142.11116 118.4
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.