CID 263727

Nsc98390

Structural Information

Molecular Formula
C13H16N2O5
SMILES
C1CCC(CC1)C2C3(C2(C(=O)NC3=O)C(=O)O)C(=O)N
InChI
InChI=1S/C13H16N2O5/c14-8(16)12-7(6-4-2-1-3-5-6)13(12,11(19)20)10(18)15-9(12)17/h6-7H,1-5H2,(H2,14,16)(H,19,20)(H,15,17,18)
InChIKey
BDGMUICHVBHGCB-UHFFFAOYSA-N
Compound name
5-carbamoyl-6-cyclohexyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.10593 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.11321 161.9
[M+Na]+ 303.09515 169.6
[M-H]- 279.09865 165.3
[M+NH4]+ 298.13975 175.9
[M+K]+ 319.06909 165.7
[M+H-H2O]+ 263.10319 158.8
[M+HCOO]- 325.10413 174.8
[M+CH3COO]- 339.11978 198.1
[M+Na-2H]- 301.08060 162.6
[M]+ 280.10538 159.5
[M]- 280.10648 159.5
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.