CID 165766531

Methyl2-[3-(bromomethyl)oxolan-3-yl]acetate

Structural Information

Molecular Formula
C8H13BrO3
SMILES
COC(=O)CC1(CCOC1)CBr
InChI
InChI=1S/C8H13BrO3/c1-11-7(10)4-8(5-9)2-3-12-6-8/h2-6H2,1H3
InChIKey
HTRQYHJLQRREEH-UHFFFAOYSA-N
Compound name
methyl 2-[3-(bromomethyl)oxolan-3-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.0048 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.01208 146.1
[M+Na]+ 258.99402 156.1
[M-H]- 234.99752 152.5
[M+NH4]+ 254.03862 169.6
[M+K]+ 274.96796 148.2
[M+H-H2O]+ 219.00206 147.6
[M+HCOO]- 281.00300 165.4
[M+CH3COO]- 295.01865 184.4
[M+Na-2H]- 256.97947 152.5
[M]+ 236.00425 165.8
[M]- 236.00535 165.8
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.