CID 165656591

En300-37410688

Structural Information

Molecular Formula
C8H13BrO2
SMILES
C1C[C@@]2(C[C@H]([C@@H]1Br)OC2)CO
InChI
InChI=1S/C8H13BrO2/c9-6-1-2-8(4-10)3-7(6)11-5-8/h6-7,10H,1-5H2/t6-,7-,8-/m1/s1
InChIKey
RAAIZNHSTAGJDO-BWZBUEFSSA-N
Compound name
[(1R,4R,5R)-4-bromo-6-oxabicyclo[3.2.1]octan-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.00989 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.01717 144.2
[M+Na]+ 242.99911 154.3
[M-H]- 219.00261 148.8
[M+NH4]+ 238.04371 169.4
[M+K]+ 258.97305 145.1
[M+H-H2O]+ 203.00715 146.4
[M+HCOO]- 265.00809 159.5
[M+CH3COO]- 279.02374 181.1
[M+Na-2H]- 240.98456 152.0
[M]+ 220.00934 160.5
[M]- 220.01044 160.5
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

No patent data available for this compound.