CID 15140930

133149-09-4

Structural Information

Molecular Formula
C8H13BrO4
SMILES
CC1(OC[C@H](O1)[C@@H](C(=O)OC)Br)C
InChI
InChI=1S/C8H13BrO4/c1-8(2)12-4-5(13-8)6(9)7(10)11-3/h5-6H,4H2,1-3H3/t5-,6-/m0/s1
InChIKey
BVSBOVWTJOHGIM-WDSKDSINSA-N
Compound name
methyl (2S)-2-bromo-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.99973 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.00701 148.3
[M+Na]+ 274.98895 158.8
[M-H]- 250.99245 155.6
[M+NH4]+ 270.03355 170.1
[M+K]+ 290.96289 152.5
[M+H-H2O]+ 234.99699 150.1
[M+HCOO]- 296.99793 165.8
[M+CH3COO]- 311.01358 188.5
[M+Na-2H]- 272.97440 154.0
[M]+ 251.99918 169.7
[M]- 252.00028 169.7
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.