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
trans-(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]+ 145.085916 127.7
[M+Na]+ 167.067858 137.0
[M-H]- 143.071364 130.3
[M+NH4]+ 162.112463 143.4
[M+K]+ 183.041798 134.6
[M+H-H2O]+ 127.075900 123.4
[M+HCOO]- 189.076841 147.0
[M+CH3COO]- 203.092491 174.5
[M+Na-2H]- 165.053306 132.9
[M]+ 144.07809142 129.9
[M]- 144.07918858 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.