CID 263708

Nsc98369

Structural Information

Molecular Formula
C12H14N2O5
SMILES
C1CCC2(CC1)C3(C2(C(=O)NC3=O)NC=O)C(=O)O
InChI
InChI=1S/C12H14N2O5/c15-6-13-12-8(17)14-7(16)11(12,9(18)19)10(12)4-2-1-3-5-10/h6H,1-5H2,(H,13,15)(H,18,19)(H,14,16,17)
InChIKey
FVSJLNMNGGWTOQ-UHFFFAOYSA-N
Compound name
5-formamido-2,4-dioxospiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclohexane]-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.09027 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.09755 160.7
[M+Na]+ 289.07949 169.7
[M-H]- 265.08299 163.8
[M+NH4]+ 284.12409 177.7
[M+K]+ 305.05343 166.3
[M+H-H2O]+ 249.08753 158.2
[M+HCOO]- 311.08847 174.9
[M+CH3COO]- 325.10412 193.7
[M+Na-2H]- 287.06494 165.9
[M]+ 266.08972 160.3
[M]- 266.09082 160.3
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.