CID 13041626

29801-44-3

Structural Information

Molecular Formula
C11H18O4
SMILES
CC1([C@H]([C@H]1C(=O)OC(C)(C)C)C(=O)O)C
InChI
InChI=1S/C11H18O4/c1-10(2,3)15-9(14)7-6(8(12)13)11(7,4)5/h6-7H,1-5H3,(H,12,13)/t6-,7+/m1/s1
InChIKey
ZMRUBTHTKGPVHS-RQJHMYQMSA-N
Compound name
(1S,3R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.12051 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.12779 150.0
[M+Na]+ 237.10973 160.1
[M+NH4]+ 232.15433 157.6
[M+K]+ 253.08367 157.3
[M-H]- 213.11323 155.1
[M+Na-2H]- 235.09518 155.7
[M]+ 214.11996 154.0
[M]- 214.12106 154.0
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

No patent data available for this compound.