CID 3801345

54881-13-9

Structural Information

Molecular Formula
C10H13NO
SMILES
C1C(CN1CC2=CC=CC=C2)O
InChI
InChI=1S/C10H13NO/c12-10-7-11(8-10)6-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2
InChIKey
JOXQHYFVXZZGQZ-UHFFFAOYSA-N
Compound name
1-benzylazetidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

181
Patents

163.09972 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.106996 131.2
[M+Na]+ 186.088938 137.3
[M-H]- 162.092444 135.0
[M+NH4]+ 181.133543 143.5
[M+K]+ 202.062878 137.8
[M+H-H2O]+ 146.096980 119.5
[M+HCOO]- 208.097921 151.3
[M+CH3COO]- 222.113571 179.2
[M+Na-2H]- 184.074386 137.6
[M]+ 163.09917142 137.8
[M]- 163.10026858 137.8
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.