CID 71757761

2-[(tert-butoxy)carbonyl]-6-oxo-1,2-diazinane-4-carboxylic acid

Structural Information

Molecular Formula
C10H16N2O5
SMILES
CC(C)(C)OC(=O)N1CC(CC(=O)N1)C(=O)O
InChI
InChI=1S/C10H16N2O5/c1-10(2,3)17-9(16)12-5-6(8(14)15)4-7(13)11-12/h6H,4-5H2,1-3H3,(H,11,13)(H,14,15)
InChIKey
LNQFXNNGMAYOBL-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxodiazinane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.10593 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.11321 153.9
[M+Na]+ 267.09515 160.8
[M+NH4]+ 262.13975 157.2
[M+K]+ 283.06909 160.0
[M-H]- 243.09865 149.6
[M+Na-2H]- 265.08060 153.8
[M]+ 244.10538 153.0
[M]- 244.10648 153.0
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

No patent data available for this compound.