CID 15941157

3-(azetidin-3-yl)phenolhydrochloride

Structural Information

Molecular Formula
C9H11NO
SMILES
C1C(CN1)C2=CC(=CC=C2)O
InChI
InChI=1S/C9H11NO/c11-9-3-1-2-7(4-9)8-5-10-6-8/h1-4,8,10-11H,5-6H2
InChIKey
JZMZEEYDFBNVCV-UHFFFAOYSA-N
Compound name
3-(azetidin-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

149.08406 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.09134 128.1
[M+Na]+ 172.07328 134.2
[M-H]- 148.07678 130.7
[M+NH4]+ 167.11788 140.3
[M+K]+ 188.04722 134.0
[M+H-H2O]+ 132.08132 116.8
[M+HCOO]- 194.08226 147.0
[M+CH3COO]- 208.09791 173.7
[M+Na-2H]- 170.05873 134.5
[M]+ 149.08351 132.5
[M]- 149.08461 132.5
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

patents stripe