CID 263653

90868-50-1

Structural Information

Molecular Formula
C9H10N2O5
SMILES
CC1(C2(C1(C(=O)NC2=O)C(=O)O)C(=O)N)C
InChI
InChI=1S/C9H10N2O5/c1-7(2)8(3(10)12)4(13)11-5(14)9(7,8)6(15)16/h1-2H3,(H2,10,12)(H,15,16)(H,11,13,14)
InChIKey
FJJPAGDVUGOLKL-UHFFFAOYSA-N
Compound name
5-carbamoyl-6,6-dimethyl-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

226.05898 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.06626 146.1
[M+Na]+ 249.04820 157.8
[M-H]- 225.05170 148.1
[M+NH4]+ 244.09280 164.7
[M+K]+ 265.02214 154.9
[M+H-H2O]+ 209.05624 145.8
[M+HCOO]- 271.05718 162.5
[M+CH3COO]- 285.07283 189.3
[M+Na-2H]- 247.03365 150.7
[M]+ 226.05843 149.3
[M]- 226.05953 149.3
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.