CID 54197881

3-chloro-2-ethoxypropan-1-ol

Structural Information

Molecular Formula
C5H11ClO2
SMILES
CCOC(CO)CCl
InChI
InChI=1S/C5H11ClO2/c1-2-8-5(3-6)4-7/h5,7H,2-4H2,1H3
InChIKey
XBVIXNODTHEOFC-UHFFFAOYSA-N
Compound name
3-chloro-2-ethoxypropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

138.04475 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.05203 126.1
[M+Na]+ 161.03397 133.9
[M-H]- 137.03747 125.1
[M+NH4]+ 156.07857 148.1
[M+K]+ 177.00791 132.2
[M+H-H2O]+ 121.04201 123.0
[M+HCOO]- 183.04295 143.7
[M+CH3COO]- 197.05860 170.2
[M+Na-2H]- 159.01942 131.6
[M]+ 138.04420 129.1
[M]- 138.04530 129.1
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