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

cis-(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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	173.080836	133.9
[M+Na]+	195.062778	142.8
[M-H]-	171.066284	136.4
[M+NH4]+	190.107383	150.0
[M+K]+	211.036718	141.3
[M+H-H2O]+	155.070820	130.5
[M+HCOO]-	217.071761	152.4
[M+CH3COO]-	231.087411	179.6
[M+Na-2H]-	193.048226	136.8
[M]+	172.07301142	137.0
[M]-	172.07410858	137.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.