CID 145867577

Tert-butyl4-(2-chloroethyl)oxane-4-carboxylate

Structural Information

Molecular Formula
C12H21ClO3
SMILES
CC(C)(C)OC(=O)C1(CCOCC1)CCCl
InChI
InChI=1S/C12H21ClO3/c1-11(2,3)16-10(14)12(4-7-13)5-8-15-9-6-12/h4-9H2,1-3H3
InChIKey
LEURLLDFMORIFB-UHFFFAOYSA-N
Compound name
tert-butyl 4-(2-chloroethyl)oxane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.11792 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.12520 155.6
[M+Na]+ 271.10714 160.9
[M-H]- 247.11064 159.0
[M+NH4]+ 266.15174 174.4
[M+K]+ 287.08108 160.1
[M+H-H2O]+ 231.11518 151.8
[M+HCOO]- 293.11612 167.8
[M+CH3COO]- 307.13177 189.8
[M+Na-2H]- 269.09259 160.9
[M]+ 248.11737 157.7
[M]- 248.11847 157.7
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

No patent data available for this compound.