CID 209421

3-(1,3-dimethylazetidin-3-yl)phenol

Structural Information

Molecular Formula
C11H15NO
SMILES
CC1(CN(C1)C)C2=CC(=CC=C2)O
InChI
InChI=1S/C11H15NO/c1-11(7-12(2)8-11)9-4-3-5-10(13)6-9/h3-6,13H,7-8H2,1-2H3
InChIKey
KEYPQTMTBMALPJ-UHFFFAOYSA-N
Compound name
3-(1,3-dimethylazetidin-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.11537 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.12265 137.0
[M+Na]+ 200.10459 145.9
[M+NH4]+ 195.14919 143.3
[M+K]+ 216.07853 139.6
[M-H]- 176.10809 137.4
[M+Na-2H]- 198.09004 143.6
[M]+ 177.11482 137.4
[M]- 177.11592 137.4
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.