CID 119030471

2-bromo-1-(oxolan-3-yl)ethan-1-ol

Structural Information

Molecular Formula
C6H11BrO2
SMILES
C1COCC1C(CBr)O
InChI
InChI=1S/C6H11BrO2/c7-3-6(8)5-1-2-9-4-5/h5-6,8H,1-4H2
InChIKey
IXUBWZIYFWKBBU-UHFFFAOYSA-N
Compound name
2-bromo-1-(oxolan-3-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.99425 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.00153 139.5
[M+Na]+ 216.98347 148.7
[M-H]- 192.98697 144.5
[M+NH4]+ 212.02807 161.9
[M+K]+ 232.95741 140.2
[M+H-H2O]+ 176.99151 140.3
[M+HCOO]- 238.99245 157.4
[M+CH3COO]- 253.00810 176.3
[M+Na-2H]- 214.96892 144.9
[M]+ 193.99370 155.6
[M]- 193.99480 155.6
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.