CID 12453027

Rac-(2r,3r)-2,3-dimethylcyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C6H10O2
SMILES
C[C@@H]1[C@H](C1C(=O)O)C
InChI
InChI=1S/C6H10O2/c1-3-4(2)5(3)6(7)8/h3-5H,1-2H3,(H,7,8)/t3-,4-/m1/s1
InChIKey
VEQMUQZKBLIXLT-QWWZWVQMSA-N
Compound name
(2R,3R)-2,3-dimethylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

114.06808 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.07536 120.4
[M+Na]+ 137.05730 131.0
[M-H]- 113.06080 124.6
[M+NH4]+ 132.10190 138.2
[M+K]+ 153.03124 129.0
[M+H-H2O]+ 97.065340 115.7
[M+HCOO]- 159.06628 142.7
[M+CH3COO]- 173.08193 172.9
[M+Na-2H]- 135.04275 125.2
[M]+ 114.06753 123.4
[M]- 114.06863 123.4
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.