CID 45358287

914224-29-6

Structural Information

Molecular Formula
C9H15BrO4
SMILES
CC(C)(C)OC(=O)CC(C(=O)OC)Br
InChI
InChI=1S/C9H15BrO4/c1-9(2,3)14-7(11)5-6(10)8(12)13-4/h6H,5H2,1-4H3
InChIKey
RMYNMVDLUFHECX-UHFFFAOYSA-N
Compound name
4-O-tert-butyl 1-O-methyl 2-bromobutanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

266.01538 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.02266 151.8
[M+Na]+ 289.00460 161.6
[M-H]- 265.00810 154.8
[M+NH4]+ 284.04920 172.1
[M+K]+ 304.97854 153.0
[M+H-H2O]+ 249.01264 152.3
[M+HCOO]- 311.01358 169.1
[M+CH3COO]- 325.02923 193.0
[M+Na-2H]- 286.99005 155.6
[M]+ 266.01483 174.0
[M]- 266.01593 174.0
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