CID 55288344

6-methylazepane-2,4-dione

Structural Information

Molecular Formula
C7H11NO2
SMILES
CC1CC(=O)CC(=O)NC1
InChI
InChI=1S/C7H11NO2/c1-5-2-6(9)3-7(10)8-4-5/h5H,2-4H2,1H3,(H,8,10)
InChIKey
ZWNPDHZUUNKFDT-UHFFFAOYSA-N
Compound name
6-methylazepane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

141.07898 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.086256 123.2
[M+Na]+ 164.068198 128.3
[M-H]- 140.071704 125.1
[M+NH4]+ 159.112803 141.4
[M+K]+ 180.042138 131.1
[M+H-H2O]+ 124.076240 117.8
[M+HCOO]- 186.077181 141.4
[M+CH3COO]- 200.092831 173.3
[M+Na-2H]- 162.053646 127.5
[M]+ 141.07843142 116.0
[M]- 141.07952858 116.0
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