CID 91900

56519-61-0

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	134.8
[M+Na]+	189.06527	142.9
[M-H]-	165.06877	135.2
[M+NH4]+	184.10987	156.7
[M+K]+	205.03921	141.6
[M+H-H2O]+	149.07331	131.6
[M+HCOO]-	211.07425	152.8
[M+CH3COO]-	225.08990	178.5
[M+Na-2H]-	187.05072	141.7
[M]+	166.07550	140.7
[M]-	166.07660	140.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe