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

6
Patents

141.07898 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.08626 123.2
[M+Na]+ 164.06820 128.3
[M-H]- 140.07170 125.1
[M+NH4]+ 159.11280 141.4
[M+K]+ 180.04214 131.1
[M+H-H2O]+ 124.07624 117.8
[M+HCOO]- 186.07718 141.4
[M+CH3COO]- 200.09283 173.3
[M+Na-2H]- 162.05365 127.5
[M]+ 141.07843 116.0
[M]- 141.07953 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