CID 4961981

852400-33-0

Structural Information

Molecular Formula
C11H16N2O4
SMILES
CN1C(=O)N(C(=O)C12CCCCC2)CC(=O)O
InChI
InChI=1S/C11H16N2O4/c1-12-10(17)13(7-8(14)15)9(16)11(12)5-3-2-4-6-11/h2-7H2,1H3,(H,14,15)
InChIKey
XKEJSMNMNFCNDO-UHFFFAOYSA-N
Compound name
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.11101 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.118286 152.5
[M+Na]+ 263.100228 159.4
[M-H]- 239.103734 153.9
[M+NH4]+ 258.144833 170.7
[M+K]+ 279.074168 157.3
[M+H-H2O]+ 223.108270 146.3
[M+HCOO]- 285.109211 167.6
[M+CH3COO]- 299.124861 187.7
[M+Na-2H]- 261.085676 153.0
[M]+ 240.11046142 148.6
[M]- 240.11155858 148.6
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.