CID 95402

1-allyloxy-3-chloro-2-propanol

Structural Information

Molecular Formula

C₆H₁₁ClO₂

SMILES

C=CCOCC(CCl)O

InChI

InChI=1S/C6H11ClO2/c1-2-3-9-5-6(8)4-7/h2,6,8H,1,3-5H2

InChIKey

DLVRPVNJFWEIFV-UHFFFAOYSA-N

Compound name

1-chloro-3-prop-2-enoxypropan-2-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 75
Patents: 150.04475 Da
Monoisotopic Mass: 0.7
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	128.6
[M+Na]+	173.03397	139.1
[M+NH4]+	168.07857	136.3
[M+K]+	189.00791	133.5
[M-H]-	149.03747	127.2
[M+Na-2H]-	171.01942	131.9
[M]+	150.04420	129.7
[M]-	150.04530	129.7

Literature stripe

literature stripe

Patent stripe

patents stripe