CID 12444591

702-88-5

Structural Information

Molecular Formula
C8H12O4
SMILES
CC(C)[C@@]1(C[C@H]1C(=O)O)C(=O)O
InChI
InChI=1S/C8H12O4/c1-4(2)8(7(11)12)3-5(8)6(9)10/h4-5H,3H2,1-2H3,(H,9,10)(H,11,12)/t5-,8+/m0/s1
InChIKey
YCIYREMKVHKNLH-YLWLKBPMSA-N
Compound name
(1R,2R)-1-propan-2-ylcyclopropane-1,2-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.07356 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.08084 138.7
[M+Na]+ 195.06278 148.3
[M+NH4]+ 190.10738 146.4
[M+K]+ 211.03672 145.9
[M-H]- 171.06628 143.7
[M+Na-2H]- 193.04823 144.3
[M]+ 172.07301 142.3
[M]- 172.07411 142.3
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.