CID 4868349

790725-81-4

Structural Information

Molecular Formula
C12H18N2O4
SMILES
CCC1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)O
InChI
InChI=1S/C12H18N2O4/c1-2-8-3-5-12(6-4-8)10(17)14(7-9(15)16)11(18)13-12/h8H,2-7H2,1H3,(H,13,18)(H,15,16)
InChIKey
HIGUZLALYBCEKD-UHFFFAOYSA-N
Compound name
2-(8-ethyl-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

254.12666 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.133936 157.9
[M+Na]+ 277.115878 164.0
[M-H]- 253.119384 157.7
[M+NH4]+ 272.160483 174.8
[M+K]+ 293.089818 160.8
[M+H-H2O]+ 237.123920 151.8
[M+HCOO]- 299.124861 171.1
[M+CH3COO]- 313.140511 188.4
[M+Na-2H]- 275.101326 157.5
[M]+ 254.12611142 152.6
[M]- 254.12720858 152.6
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.