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

46
Patents

193.95786 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.96514 133.3
[M+Na]+ 216.94708 147.1
[M-H]- 192.95058 141.6
[M+NH4]+ 211.99168 150.9
[M+K]+ 232.92102 138.3
[M+H-H2O]+ 176.95512 132.9
[M+HCOO]- 238.95606 154.1
[M+CH3COO]- 252.97171 183.0
[M+Na-2H]- 214.93253 141.4
[M]+ 193.95731 156.5
[M]- 193.95841 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