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 142.9
[M+Na]+ 223.09408 151.5
[M-H]- 199.09758 146.4
[M+NH4]+ 218.13868 157.1
[M+K]+ 239.06802 149.5
[M+H-H2O]+ 183.10212 138.0
[M+HCOO]- 245.10306 162.1
[M+CH3COO]- 259.11871 186.3
[M+Na-2H]- 221.07953 146.0
[M]+ 200.10431 148.0
[M]- 200.10541 148.0
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