CID 65362069

1-(2-methoxyethyl)-1,4-diazepan-2-one

Structural Information

Molecular Formula
C8H16N2O2
SMILES
COCCN1CCCNCC1=O
InChI
InChI=1S/C8H16N2O2/c1-12-6-5-10-4-2-3-9-7-8(10)11/h9H,2-7H2,1H3
InChIKey
QNNQFWDKUBSTNM-UHFFFAOYSA-N
Compound name
1-(2-methoxyethyl)-1,4-diazepan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

172.12119 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.128466 133.8
[M+Na]+ 195.110408 137.5
[M-H]- 171.113914 133.7
[M+NH4]+ 190.155013 149.3
[M+K]+ 211.084348 140.4
[M+H-H2O]+ 155.118450 126.2
[M+HCOO]- 217.119391 150.2
[M+CH3COO]- 231.135041 178.6
[M+Na-2H]- 193.095856 138.1
[M]+ 172.12064142 127.7
[M]- 172.12173858 127.7
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