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]+ 149.036386 123.5
[M+Na]+ 171.018328 134.4
[M-H]- 147.021834 123.5
[M+NH4]+ 166.062933 143.9
[M+K]+ 186.992268 131.7
[M+H-H2O]+ 131.026370 114.3
[M+HCOO]- 193.027311 138.5
[M+CH3COO]- 207.042961 181.2
[M+Na-2H]- 169.003776 130.1
[M]+ 148.02856142 123.2
[M]- 148.02965858 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.