CID 91900

1-chloro-4,4-dimethoxypentane

Structural Information

Molecular Formula

C₇H₁₅ClO₂

SMILES

CC(CCCCl)(OC)OC

InChI

InChI=1S/C7H15ClO2/c1-7(9-2,10-3)5-4-6-8/h4-6H2,1-3H3

InChIKey

UBDRYQSBZIAAFH-UHFFFAOYSA-N

Compound name

1-chloro-4,4-dimethoxypentane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 166.07605 Da
Monoisotopic Mass: 1.6
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]+	167.08333	133.8
[M+Na]+	189.06527	144.7
[M+NH4]+	184.10987	141.9
[M+K]+	205.03921	139.0
[M-H]-	165.06877	132.8
[M+Na-2H]-	187.05072	137.9
[M]+	166.07550	135.3
[M]-	166.07660	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe