CID 155820471

3-(4-bromo-2-methoxyphenyl)azetidin-3-ol hydrochloride

Structural Information

Molecular Formula
C10H12BrNO2
SMILES
COC1=C(C=CC(=C1)Br)C2(CNC2)O
InChI
InChI=1S/C10H12BrNO2/c1-14-9-4-7(11)2-3-8(9)10(13)5-12-6-10/h2-4,12-13H,5-6H2,1H3
InChIKey
VPTKUYGNDCGFFQ-UHFFFAOYSA-N
Compound name
3-(4-bromo-2-methoxyphenyl)azetidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.00513 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.01241 140.2
[M+Na]+ 279.99435 150.2
[M-H]- 255.99785 145.7
[M+NH4]+ 275.03895 154.2
[M+K]+ 295.96829 141.8
[M+H-H2O]+ 240.00239 136.1
[M+HCOO]- 302.00333 156.9
[M+CH3COO]- 316.01898 189.3
[M+Na-2H]- 277.97980 147.7
[M]+ 257.00458 164.8
[M]- 257.00568 164.8
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.