CID 14459658

Chloromethyl 3,3-dimethylbutanoate

Structural Information

Molecular Formula
C7H13ClO2
SMILES
CC(C)(C)CC(=O)OCCl
InChI
InChI=1S/C7H13ClO2/c1-7(2,3)4-6(9)10-5-8/h4-5H2,1-3H3
InChIKey
SFBGQDWZYXYQAS-UHFFFAOYSA-N
Compound name
chloromethyl 3,3-dimethylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

164.06041 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.067686 133.2
[M+Na]+ 187.049628 141.6
[M-H]- 163.053134 133.9
[M+NH4]+ 182.094233 155.3
[M+K]+ 203.023568 140.1
[M+H-H2O]+ 147.057670 130.4
[M+HCOO]- 209.058611 150.5
[M+CH3COO]- 223.074261 176.9
[M+Na-2H]- 185.035076 139.0
[M]+ 164.05986142 137.7
[M]- 164.06095858 137.7
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