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]+ 221.017166 144.2
[M+Na]+ 242.999108 154.3
[M-H]- 219.002614 148.8
[M+NH4]+ 238.043713 169.4
[M+K]+ 258.973048 145.1
[M+H-H2O]+ 203.007150 146.4
[M+HCOO]- 265.008091 159.5
[M+CH3COO]- 279.023741 181.1
[M+Na-2H]- 240.984556 152.0
[M]+ 220.00934142 160.5
[M]- 220.01043858 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.