CID 19738440

1,3-diethyl 2-(2-bromoethyl)propanedioate

Structural Information

Molecular Formula
C9H15BrO4
SMILES
CCOC(=O)C(CCBr)C(=O)OCC
InChI
InChI=1S/C9H15BrO4/c1-3-13-8(11)7(5-6-10)9(12)14-4-2/h7H,3-6H2,1-2H3
InChIKey
DORYQARRXSUUFM-UHFFFAOYSA-N
Compound name
diethyl 2-(2-bromoethyl)propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

266.01538 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.02266 152.3
[M+Na]+ 289.00460 161.5
[M-H]- 265.00810 154.8
[M+NH4]+ 284.04920 172.3
[M+K]+ 304.97854 152.5
[M+H-H2O]+ 249.01264 152.0
[M+HCOO]- 311.01358 171.0
[M+CH3COO]- 325.02923 193.3
[M+Na-2H]- 286.99005 155.2
[M]+ 266.01483 174.9
[M]- 266.01593 174.9
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