CID 15484374

220812-07-7

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

42
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 123.8
[M+Na]+ 216.94708 127.4
[M+NH4]+ 211.99168 128.7
[M+K]+ 232.92102 130.7
[M-H]- 192.95058 129.8
[M+Na-2H]- 214.93253 128.1
[M]+ 193.95731 125.7
[M]- 193.95841 125.7
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

patents stripe