CID 13041626

Rac-(1r,3s)-3-[(tert-butoxy)carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid

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 145.3
[M+Na]+ 237.10973 155.0
[M-H]- 213.11323 149.3
[M+NH4]+ 232.15433 161.2
[M+K]+ 253.08367 153.8
[M+H-H2O]+ 197.11777 142.3
[M+HCOO]- 259.11871 163.8
[M+CH3COO]- 273.13436 189.9
[M+Na-2H]- 235.09518 148.8
[M]+ 214.11996 151.7
[M]- 214.12106 151.7
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.