CID 11051847

32653-34-2

Structural Information

Molecular Formula

C₆H₁₁ClO₂

SMILES

CC[C@H](C)[C@@H](C(=O)O)Cl

InChI

InChI=1S/C6H11ClO2/c1-3-4(2)5(7)6(8)9/h4-5H,3H2,1-2H3,(H,8,9)/t4-,5-/m0/s1

InChIKey

QMYSXXQDOZTXAE-WHFBIAKZSA-N

Compound name

(2S,3S)-2-chloro-3-methylpentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 142
Patents: 150.04475 Da
Monoisotopic Mass: 2.1
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]+	151.05203	129.2
[M+Na]+	173.03397	139.1
[M+NH4]+	168.07857	136.7
[M+K]+	189.00791	135.1
[M-H]-	149.03747	127.4
[M+Na-2H]-	171.01942	131.8
[M]+	150.04420	130.1
[M]-	150.04530	130.1

Literature stripe

literature stripe

Patent stripe

patents stripe