CID 262993

Nsc97140

Structural Information

Molecular Formula
C12H13NO6
SMILES
C1CCC2(CC1)C3(C2(C(=O)NC3=O)C(=O)O)C(=O)O
InChI
InChI=1S/C12H13NO6/c14-6-11(8(16)17)10(4-2-1-3-5-10)12(11,9(18)19)7(15)13-6/h1-5H2,(H,16,17)(H,18,19)(H,13,14,15)
InChIKey
OPTGTJBGZGBSKV-UHFFFAOYSA-N
Compound name
2,4-dioxospiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclohexane]-1,5-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.07428 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.081556 161.6
[M+Na]+ 290.063498 170.7
[M-H]- 266.067004 163.5
[M+NH4]+ 285.108103 178.1
[M+K]+ 306.037438 167.5
[M+H-H2O]+ 250.071540 159.9
[M+HCOO]- 312.072481 172.5
[M+CH3COO]- 326.088131 189.7
[M+Na-2H]- 288.048946 165.0
[M]+ 267.07373142 161.1
[M]- 267.07482858 161.1
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.