CID 23626

1-azetidineethanol, 3-phenyl-

Structural Information

Molecular Formula
C11H15NO
SMILES
C1C(CN1CCO)C2=CC=CC=C2
InChI
InChI=1S/C11H15NO/c13-7-6-12-8-11(9-12)10-4-2-1-3-5-10/h1-5,11,13H,6-9H2
InChIKey
DTHAKPGDBQTYBC-UHFFFAOYSA-N
Compound name
2-(3-phenylazetidin-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.11537 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.12265 135.9
[M+Na]+ 200.10459 141.5
[M-H]- 176.10809 139.5
[M+NH4]+ 195.14919 147.6
[M+K]+ 216.07853 141.7
[M+H-H2O]+ 160.11263 123.9
[M+HCOO]- 222.11357 155.6
[M+CH3COO]- 236.12922 182.1
[M+Na-2H]- 198.09004 141.7
[M]+ 177.11482 142.8
[M]- 177.11592 142.8
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.