CID 155943962

Rac-(1r,2r)-2-(2-hydroxypropan-2-yl)cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C7H12O3
SMILES
CC(C)([C@@H]1C[C@H]1C(=O)O)O
InChI
InChI=1S/C7H12O3/c1-7(2,10)5-3-4(5)6(8)9/h4-5,10H,3H2,1-2H3,(H,8,9)/t4-,5-/m1/s1
InChIKey
TZLQEZFNTVQBII-RFZPGFLSSA-N
Compound name
(1R,2R)-2-(2-hydroxypropan-2-yl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.07864 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.08592 127.7
[M+Na]+ 167.06786 137.0
[M-H]- 143.07136 130.3
[M+NH4]+ 162.11246 143.4
[M+K]+ 183.04180 134.6
[M+H-H2O]+ 127.07590 123.4
[M+HCOO]- 189.07684 147.0
[M+CH3COO]- 203.09249 174.5
[M+Na-2H]- 165.05331 132.9
[M]+ 144.07809 129.9
[M]- 144.07919 129.9
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.