CID 64468863

2-{7,7-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl}acetic acid

Structural Information

Molecular Formula
C12H18N2O4
SMILES
CC1(CCCC2(C1)C(=O)N(C(=O)N2)CC(=O)O)C
InChI
InChI=1S/C12H18N2O4/c1-11(2)4-3-5-12(7-11)9(17)14(6-8(15)16)10(18)13-12/h3-7H2,1-2H3,(H,13,18)(H,15,16)
InChIKey
CKNCQSUDJFYQAC-UHFFFAOYSA-N
Compound name
2-(7,7-dimethyl-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

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.133936 156.3
[M+Na]+ 277.115878 163.4
[M-H]- 253.119384 156.5
[M+NH4]+ 272.160483 175.3
[M+K]+ 293.089818 160.5
[M+H-H2O]+ 237.123920 151.2
[M+HCOO]- 299.124861 169.5
[M+CH3COO]- 313.140511 188.1
[M+Na-2H]- 275.101326 157.3
[M]+ 254.12611142 151.5
[M]- 254.12720858 151.5
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.