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]+ 241.11829 152.5
[M+Na]+ 263.10023 159.4
[M-H]- 239.10373 153.9
[M+NH4]+ 258.14483 170.7
[M+K]+ 279.07417 157.3
[M+H-H2O]+ 223.10827 146.3
[M+HCOO]- 285.10921 167.6
[M+CH3COO]- 299.12486 187.7
[M+Na-2H]- 261.08568 153.0
[M]+ 240.11046 148.6
[M]- 240.11156 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.