CID 122156837

3-(tert-butoxy)-2-cyclopropyl-3-oxopropanoic acid

Structural Information

Molecular Formula
C10H16O4
SMILES
CC(C)(C)OC(=O)C(C1CC1)C(=O)O
InChI
InChI=1S/C10H16O4/c1-10(2,3)14-9(13)7(8(11)12)6-4-5-6/h6-7H,4-5H2,1-3H3,(H,11,12)
InChIKey
SFJNIGJEGNLHBQ-UHFFFAOYSA-N
Compound name
2-cyclopropyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.10486 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.11214 146.3
[M+Na]+ 223.09408 155.3
[M+NH4]+ 218.13868 152.5
[M+K]+ 239.06802 154.7
[M-H]- 199.09758 151.0
[M+Na-2H]- 221.07953 150.5
[M]+ 200.10431 149.6
[M]- 200.10541 149.6
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.