CID 12712314

1-chloro-2,2-dimethoxypropane

Structural Information

Molecular Formula
C5H11ClO2
SMILES
CC(CCl)(OC)OC
InChI
InChI=1S/C5H11ClO2/c1-5(4-6,7-2)8-3/h4H2,1-3H3
InChIKey
FTKKWGMMSYGKON-UHFFFAOYSA-N
Compound name
1-chloro-2,2-dimethoxypropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

138.04475 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.05203 125.3
[M+Na]+ 161.03397 134.2
[M-H]- 137.03747 126.0
[M+NH4]+ 156.07857 148.3
[M+K]+ 177.00791 133.4
[M+H-H2O]+ 121.04201 122.5
[M+HCOO]- 183.04295 143.9
[M+CH3COO]- 197.05860 172.4
[M+Na-2H]- 159.01942 133.3
[M]+ 138.04420 130.4
[M]- 138.04530 130.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe