CID 77590

3970-21-6

Structural Information

Molecular Formula
C4H9ClO2
SMILES
COCCOCCl
InChI
InChI=1S/C4H9ClO2/c1-6-2-3-7-4-5/h2-4H2,1H3
InChIKey
BIAAQBNMRITRDV-UHFFFAOYSA-N
Compound name
1-(chloromethoxy)-2-methoxyethane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

5570
Patents

124.029106 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.03638 120.4
[M+Na]+ 147.01832 129.2
[M-H]- 123.02183 120.9
[M+NH4]+ 142.06293 143.8
[M+K]+ 162.99226 128.4
[M+H-H2O]+ 107.02637 117.2
[M+HCOO]- 169.02731 140.9
[M+CH3COO]- 183.04296 169.1
[M+Na-2H]- 145.00377 128.3
[M]+ 124.02856 125.6
[M]- 124.02965 125.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe