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]+ 255.13394 156.3
[M+Na]+ 277.11588 163.4
[M-H]- 253.11938 156.5
[M+NH4]+ 272.16048 175.3
[M+K]+ 293.08982 160.5
[M+H-H2O]+ 237.12392 151.2
[M+HCOO]- 299.12486 169.5
[M+CH3COO]- 313.14051 188.1
[M+Na-2H]- 275.10133 157.3
[M]+ 254.12611 151.5
[M]- 254.12721 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.