CID 14459666

Chloromethyl 2,2-dimethylbutanoate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

164.06041 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.06769 133.1
[M+Na]+ 187.04963 141.3
[M-H]- 163.05313 133.7
[M+NH4]+ 182.09423 155.0
[M+K]+ 203.02357 139.8
[M+H-H2O]+ 147.05767 130.1
[M+HCOO]- 209.05861 150.3
[M+CH3COO]- 223.07426 177.6
[M+Na-2H]- 185.03508 138.8
[M]+ 164.05986 137.6
[M]- 164.06096 137.6
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