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]+ 255.13394 157.9
[M+Na]+ 277.11588 164.0
[M-H]- 253.11938 157.7
[M+NH4]+ 272.16048 174.8
[M+K]+ 293.08982 160.8
[M+H-H2O]+ 237.12392 151.8
[M+HCOO]- 299.12486 171.1
[M+CH3COO]- 313.14051 188.4
[M+Na-2H]- 275.10133 157.5
[M]+ 254.12611 152.6
[M]- 254.12721 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.