CID 140318955

79252-62-3

Structural Information

Molecular Formula
C10H16O4
SMILES
CC(C)(C)OC(=O)C[C@@H]1C[C@H]1C(=O)O
InChI
InChI=1S/C10H16O4/c1-10(2,3)14-8(11)5-6-4-7(6)9(12)13/h6-7H,4-5H2,1-3H3,(H,12,13)/t6-,7+/m0/s1
InChIKey
ZTFMUMMVYGNVOG-NKWVEPMBSA-N
Compound name
(1R,2S)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

200.10486 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.11214 145.8
[M+Na]+ 223.09408 155.4
[M+NH4]+ 218.13868 152.1
[M+K]+ 239.06802 154.2
[M-H]- 199.09758 150.7
[M+Na-2H]- 221.07953 150.2
[M]+ 200.10431 149.3
[M]- 200.10541 149.3
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