CID 5152854

2-chloropropionaldehyde dimethyl acetal

Structural Information

Molecular Formula
C5H11ClO2
SMILES
CC(C(OC)OC)Cl
InChI
InChI=1S/C5H11ClO2/c1-4(6)5(7-2)8-3/h4-5H,1-3H3
InChIKey
USYKAPHTJDDRLV-UHFFFAOYSA-N
Compound name
2-chloro-1,1-dimethoxypropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

127
Patents

138.04475 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.05203 125.3
[M+Na]+ 161.03397 133.3
[M-H]- 137.03747 125.8
[M+NH4]+ 156.07857 148.0
[M+K]+ 177.00791 133.0
[M+H-H2O]+ 121.04201 122.1
[M+HCOO]- 183.04295 143.5
[M+CH3COO]- 197.05860 173.8
[M+Na-2H]- 159.01942 130.1
[M]+ 138.04420 129.6
[M]- 138.04530 129.6
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