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]+ 195.001526 139.5
[M+Na]+ 216.983468 148.7
[M-H]- 192.986974 144.5
[M+NH4]+ 212.028073 161.9
[M+K]+ 232.957408 140.2
[M+H-H2O]+ 176.991510 140.3
[M+HCOO]- 238.992451 157.4
[M+CH3COO]- 253.008101 176.3
[M+Na-2H]- 214.968916 144.9
[M]+ 193.99370142 155.6
[M]- 193.99479858 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.