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]+ 268.08156 161.6
[M+Na]+ 290.06350 170.7
[M-H]- 266.06700 163.5
[M+NH4]+ 285.10810 178.1
[M+K]+ 306.03744 167.5
[M+H-H2O]+ 250.07154 159.9
[M+HCOO]- 312.07248 172.5
[M+CH3COO]- 326.08813 189.7
[M+Na-2H]- 288.04895 165.0
[M]+ 267.07373 161.1
[M]- 267.07483 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.