CID 55302212

1-chloro-4-(methoxymethoxy)but-2-yne

Structural Information

Molecular Formula
C6H9ClO2
SMILES
COCOCC#CCCl
InChI
InChI=1S/C6H9ClO2/c1-8-6-9-5-3-2-4-7/h4-6H2,1H3
InChIKey
OCZSTUOJXNLNPJ-UHFFFAOYSA-N
Compound name
1-chloro-4-(methoxymethoxy)but-2-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.02911 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.03639 123.5
[M+Na]+ 171.01833 134.4
[M-H]- 147.02183 123.5
[M+NH4]+ 166.06293 143.9
[M+K]+ 186.99227 131.7
[M+H-H2O]+ 131.02637 114.3
[M+HCOO]- 193.02731 138.5
[M+CH3COO]- 207.04296 181.2
[M+Na-2H]- 169.00378 130.1
[M]+ 148.02856 123.2
[M]- 148.02966 123.2
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.