CID 139014752

Rac-[(2r,3r)-3-phenylazetidin-2-yl]methanol hydrochloride

Structural Information

Molecular Formula
C10H13NO
SMILES
C1[C@H]([C@@H](N1)CO)C2=CC=CC=C2
InChI
InChI=1S/C10H13NO/c12-7-10-9(6-11-10)8-4-2-1-3-5-8/h1-5,9-12H,6-7H2/t9-,10-/m0/s1
InChIKey
NBYPMHDAXLNVQI-UWVGGRQHSA-N
Compound name
[(2R,3R)-3-phenylazetidin-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.09972 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.10700 132.7
[M+Na]+ 186.08894 138.4
[M-H]- 162.09244 135.1
[M+NH4]+ 181.13354 144.3
[M+K]+ 202.06288 137.9
[M+H-H2O]+ 146.09698 121.2
[M+HCOO]- 208.09792 151.3
[M+CH3COO]- 222.11357 176.7
[M+Na-2H]- 184.07439 138.6
[M]+ 163.09917 137.5
[M]- 163.10027 137.5
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.