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]+ 201.12337 146.6
[M+Na]+ 223.10531 152.3
[M-H]- 199.10881 144.6
[M+NH4]+ 218.14991 163.4
[M+K]+ 239.07925 151.0
[M+H-H2O]+ 183.11335 140.9
[M+HCOO]- 245.11429 160.8
[M+CH3COO]- 259.12994 179.3
[M+Na-2H]- 221.09076 147.3
[M]+ 200.11554 143.1
[M]- 200.11664 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