CID 170915941

Ethyl 4-(2-bromoacetyl)oxane-4-carboxylate

Structural Information

Molecular Formula
C10H15BrO4
SMILES
CCOC(=O)C1(CCOCC1)C(=O)CBr
InChI
InChI=1S/C10H15BrO4/c1-2-15-9(13)10(8(12)7-11)3-5-14-6-4-10/h2-7H2,1H3
InChIKey
KXOJUWYZEAXIRH-UHFFFAOYSA-N
Compound name
ethyl 4-(2-bromoacetyl)oxane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.01538 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.02266 153.8
[M+Na]+ 301.00460 161.7
[M-H]- 277.00810 159.6
[M+NH4]+ 296.04920 173.6
[M+K]+ 316.97854 154.0
[M+H-H2O]+ 261.01264 154.5
[M+HCOO]- 323.01358 169.8
[M+CH3COO]- 337.02923 192.3
[M+Na-2H]- 298.99005 159.3
[M]+ 278.01483 172.5
[M]- 278.01593 172.5
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.