CID 15484374

Methyl (2r,3s)-3-(bromomethyl)oxirane-2-carboxylate

Structural Information

Molecular Formula
C5H7BrO3
SMILES
COC(=O)[C@H]1[C@H](O1)CBr
InChI
InChI=1S/C5H7BrO3/c1-8-5(7)4-3(2-6)9-4/h3-4H,2H2,1H3/t3-,4-/m1/s1
InChIKey
KSVXJXLLDXUNQD-QWWZWVQMSA-N
Compound name
methyl (2R,3S)-3-(bromomethyl)oxirane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

193.95786 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.965136 133.3
[M+Na]+ 216.947078 147.1
[M-H]- 192.950584 141.6
[M+NH4]+ 211.991683 150.9
[M+K]+ 232.921018 138.3
[M+H-H2O]+ 176.955120 132.9
[M+HCOO]- 238.956061 154.1
[M+CH3COO]- 252.971711 183.0
[M+Na-2H]- 214.932526 141.4
[M]+ 193.95731142 156.5
[M]- 193.95840858 156.5
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

patents stripe