CID 15941157

3-(azetidin-3-yl)phenol hydrochloride

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]+ 150.091336 128.1
[M+Na]+ 172.073278 134.2
[M-H]- 148.076784 130.7
[M+NH4]+ 167.117883 140.3
[M+K]+ 188.047218 134.0
[M+H-H2O]+ 132.081320 116.8
[M+HCOO]- 194.082261 147.0
[M+CH3COO]- 208.097911 173.7
[M+Na-2H]- 170.058726 134.5
[M]+ 149.08351142 132.5
[M]- 149.08460858 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