CID 21706455

3,3-dimethyl-2-(2-oxoimidazolidin-1-yl)butanoic acid

Structural Information

Molecular Formula
C9H16N2O3
SMILES
CC(C)(C)C(C(=O)O)N1CCNC1=O
InChI
InChI=1S/C9H16N2O3/c1-9(2,3)6(7(12)13)11-5-4-10-8(11)14/h6H,4-5H2,1-3H3,(H,10,14)(H,12,13)
InChIKey
JCZGIFHVKPGICG-UHFFFAOYSA-N
Compound name
3,3-dimethyl-2-(2-oxoimidazolidin-1-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

200.11609 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.123366 146.6
[M+Na]+ 223.105308 152.3
[M-H]- 199.108814 144.6
[M+NH4]+ 218.149913 163.4
[M+K]+ 239.079248 151.0
[M+H-H2O]+ 183.113350 140.9
[M+HCOO]- 245.114291 160.8
[M+CH3COO]- 259.129941 179.3
[M+Na-2H]- 221.090756 147.3
[M]+ 200.11554142 143.1
[M]- 200.11663858 143.1
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

patents stripe