CID 373034

Nsc648867

Structural Information

Molecular Formula
C11H18N2O3
SMILES
CC(=O)N1CC(N2C1C(C2=O)(C)OC)(C)C
InChI
InChI=1S/C11H18N2O3/c1-7(14)12-6-10(2,3)13-8(12)11(4,16-5)9(13)15/h8H,6H2,1-5H3
InChIKey
MLZGLUJKVXAQLP-UHFFFAOYSA-N
Compound name
4-acetyl-6-methoxy-2,2,6-trimethyl-1,4-diazabicyclo[3.2.0]heptan-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.13174 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.13902 149.2
[M+Na]+ 249.12096 158.1
[M-H]- 225.12446 151.8
[M+NH4]+ 244.16556 165.7
[M+K]+ 265.09490 159.7
[M+H-H2O]+ 209.12900 141.1
[M+HCOO]- 271.12994 166.2
[M+CH3COO]- 285.14559 194.8
[M+Na-2H]- 247.10641 151.8
[M]+ 226.13119 161.4
[M]- 226.13229 161.4
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.