CID 70678119

1398705-10-6

Structural Information

Molecular Formula
C10H13NO
SMILES
C1C(CN1)C(C2=CC=CC=C2)O
InChI
InChI=1S/C10H13NO/c12-10(9-6-11-7-9)8-4-2-1-3-5-8/h1-5,9-12H,6-7H2
InChIKey
RWCTUQGKUCSGTO-UHFFFAOYSA-N
Compound name
azetidin-3-yl(phenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
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 134.1
[M+Na]+ 186.08894 138.5
[M-H]- 162.09244 136.2
[M+NH4]+ 181.13354 145.3
[M+K]+ 202.06288 138.6
[M+H-H2O]+ 146.09698 122.3
[M+HCOO]- 208.09792 151.6
[M+CH3COO]- 222.11357 176.4
[M+Na-2H]- 184.07439 139.3
[M]+ 163.09917 137.8
[M]- 163.10027 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.