CID 87363

1-chloro-4-methoxybutane

Structural Information

Molecular Formula
C5H11ClO
SMILES
COCCCCCl
InChI
InChI=1S/C5H11ClO/c1-7-5-3-2-4-6/h2-5H2,1H3
InChIKey
DFLRARJQZRCCKN-UHFFFAOYSA-N
Compound name
1-chloro-4-methoxybutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

388
Patents

122.04984 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.05712 122.4
[M+Na]+ 145.03906 130.8
[M-H]- 121.04256 122.7
[M+NH4]+ 140.08366 145.9
[M+K]+ 161.01300 129.3
[M+H-H2O]+ 105.04710 119.2
[M+HCOO]- 167.04804 142.3
[M+CH3COO]- 181.06369 170.2
[M+Na-2H]- 143.02451 129.8
[M]+ 122.04929 126.5
[M]- 122.05039 126.5
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