CID 97988

1-chloro-3-methoxypropan-2-ol

Structural Information

Molecular Formula
C4H9ClO2
SMILES
COCC(CCl)O
InChI
InChI=1S/C4H9ClO2/c1-7-3-4(6)2-5/h4,6H,2-3H2,1H3
InChIKey
FOLYKNXDLNPWGC-UHFFFAOYSA-N
Compound name
1-chloro-3-methoxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

521
Patents

124.029106 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.03638 121.4
[M+Na]+ 147.01832 129.6
[M-H]- 123.02183 120.6
[M+NH4]+ 142.06293 144.0
[M+K]+ 162.99226 128.1
[M+H-H2O]+ 107.02637 118.5
[M+HCOO]- 169.02731 139.4
[M+CH3COO]- 183.04296 167.2
[M+Na-2H]- 145.00377 127.4
[M]+ 124.02856 124.0
[M]- 124.02965 124.0
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