CID 23423028

2751603-29-7

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

C[C@H]1C[C@]1(C)C(=O)O

InChI

InChI=1S/C6H10O2/c1-4-3-6(4,2)5(7)8/h4H,3H2,1-2H3,(H,7,8)/t4-,6-/m0/s1

InChIKey

MMEAVAVRZYNYFB-NJGYIYPDSA-N

Compound name

cis-(1S,2S)-1,2-dimethylcyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 114.06808 Da
Monoisotopic Mass: 1.0
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]+	115.075356	121.5
[M+Na]+	137.057298	131.9
[M-H]-	113.060804	125.8
[M+NH4]+	132.101903	140.9
[M+K]+	153.031238	131.0
[M+H-H2O]+	97.065340	118.0
[M+HCOO]-	159.066281	143.5
[M+CH3COO]-	173.081931	171.4
[M+Na-2H]-	135.042746	128.1
[M]+	114.06753142	124.6
[M]-	114.06862858	124.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe