CID 145422359

Rac-[(2r,5s)-5-(bromomethyl)oxolan-2-yl]methanol

Structural Information

Molecular Formula
C6H11BrO2
SMILES
C1C[C@@H](O[C@@H]1CO)CBr
InChI
InChI=1S/C6H11BrO2/c7-3-5-1-2-6(4-8)9-5/h5-6,8H,1-4H2/t5-,6+/m1/s1
InChIKey
PJLRDDJWMAALAU-RITPCOANSA-N
Compound name
[(2S,5R)-5-(bromomethyl)oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.99425 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.001526 137.8
[M+Na]+ 216.983468 148.2
[M-H]- 192.986974 143.0
[M+NH4]+ 212.028073 160.6
[M+K]+ 232.957408 139.2
[M+H-H2O]+ 176.991510 138.8
[M+HCOO]- 238.992451 156.7
[M+CH3COO]- 253.008101 176.6
[M+Na-2H]- 214.968916 143.8
[M]+ 193.99370142 154.8
[M]- 193.99479858 154.8
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.