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]+ 168.98587 127.8
[M+Na]+ 190.96781 138.6
[M-H]- 166.97131 129.8
[M+NH4]+ 186.01241 151.1
[M+K]+ 206.94175 129.3
[M+H-H2O]+ 150.97585 128.8
[M+HCOO]- 212.97679 147.7
[M+CH3COO]- 226.99244 174.4
[M+Na-2H]- 188.95326 135.1
[M]+ 167.97804 146.9
[M]- 167.97914 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