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 133.9
[M+Na]+ 195.06278 142.8
[M-H]- 171.06628 136.4
[M+NH4]+ 190.10738 150.0
[M+K]+ 211.03672 141.3
[M+H-H2O]+ 155.07082 130.5
[M+HCOO]- 217.07176 152.4
[M+CH3COO]- 231.08741 179.6
[M+Na-2H]- 193.04823 136.8
[M]+ 172.07301 137.0
[M]- 172.07411 137.0
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.