CID 67875879

1-bromo-3-methoxypropan-2-ol

Structural Information

Molecular Formula
C4H9BrO2
SMILES
COCC(CBr)O
InChI
InChI=1S/C4H9BrO2/c1-7-3-4(6)2-5/h4,6H,2-3H2,1H3
InChIKey
JVKQRGSQZKDSLQ-UHFFFAOYSA-N
Compound name
1-bromo-3-methoxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

167.97859 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.985866 127.8
[M+Na]+ 190.967808 138.6
[M-H]- 166.971314 129.8
[M+NH4]+ 186.012413 151.1
[M+K]+ 206.941748 129.3
[M+H-H2O]+ 150.975850 128.8
[M+HCOO]- 212.976791 147.7
[M+CH3COO]- 226.992441 174.4
[M+Na-2H]- 188.953256 135.1
[M]+ 167.97804142 146.9
[M]- 167.97913858 146.9
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