CID 130913192

4-chloro-1-methoxy-2-(methoxymethyl)butane

Structural Information

Molecular Formula
C7H15ClO2
SMILES
COCC(CCCl)COC
InChI
InChI=1S/C7H15ClO2/c1-9-5-7(3-4-8)6-10-2/h7H,3-6H2,1-2H3
InChIKey
TXAUNQDSYMRKSB-UHFFFAOYSA-N
Compound name
4-chloro-1-methoxy-2-(methoxymethyl)butane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.07605 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08333 134.8
[M+Na]+ 189.06527 142.2
[M-H]- 165.06877 134.9
[M+NH4]+ 184.10987 156.5
[M+K]+ 205.03921 141.0
[M+H-H2O]+ 149.07331 131.1
[M+HCOO]- 211.07425 153.3
[M+CH3COO]- 225.08990 178.9
[M+Na-2H]- 187.05072 139.8
[M]+ 166.07550 140.6
[M]- 166.07660 140.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.