CID 69373037

879399-11-8

Structural Information

Molecular Formula
C7H11NO2
SMILES
CN1CCC(=O)CCC1=O
InChI
InChI=1S/C7H11NO2/c1-8-5-4-6(9)2-3-7(8)10/h2-5H2,1H3
InChIKey
RGVLDEAVKGKAPX-UHFFFAOYSA-N
Compound name
1-methylazepane-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

141.07898 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.086256 121.8
[M+Na]+ 164.068198 127.3
[M-H]- 140.071704 125.0
[M+NH4]+ 159.112803 140.8
[M+K]+ 180.042138 130.9
[M+H-H2O]+ 124.076240 116.3
[M+HCOO]- 186.077181 141.5
[M+CH3COO]- 200.092831 175.8
[M+Na-2H]- 162.053646 126.7
[M]+ 141.07843142 116.4
[M]- 141.07952858 116.4
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

patents stripe