CID 12919119

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

Structural Information

Molecular Formula
C7H10O3
SMILES
CC1([C@H]([C@@H]1C(=O)O)C=O)C
InChI
InChI=1S/C7H10O3/c1-7(2)4(3-8)5(7)6(9)10/h3-5H,1-2H3,(H,9,10)/t4-,5+/m0/s1
InChIKey
PTQGFDXPHNRDCV-CRCLSJGQSA-N
Compound name
(1S,3S)-3-formyl-2,2-dimethylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

142.06299 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.07027 127.0
[M+Na]+ 165.05221 138.1
[M-H]- 141.05571 131.4
[M+NH4]+ 160.09681 145.5
[M+K]+ 181.02615 136.5
[M+H-H2O]+ 125.06025 123.6
[M+HCOO]- 187.06119 148.9
[M+CH3COO]- 201.07684 176.5
[M+Na-2H]- 163.03766 132.5
[M]+ 142.06244 131.6
[M]- 142.06354 131.6
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

patents stripe