CID 205011

3-(3-butyl-1-methylazetidin-3-yl)phenol

Structural Information

Molecular Formula
C14H21NO
SMILES
CCCCC1(CN(C1)C)C2=CC(=CC=C2)O
InChI
InChI=1S/C14H21NO/c1-3-4-8-14(10-15(2)11-14)12-6-5-7-13(16)9-12/h5-7,9,16H,3-4,8,10-11H2,1-2H3
InChIKey
NNUPXSAVUSYJJR-UHFFFAOYSA-N
Compound name
3-(3-butyl-1-methylazetidin-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

219.16231 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.169586 151.6
[M+Na]+ 242.151528 157.8
[M-H]- 218.155034 155.5
[M+NH4]+ 237.196133 164.1
[M+K]+ 258.125468 157.4
[M+H-H2O]+ 202.159570 140.4
[M+HCOO]- 264.160511 170.3
[M+CH3COO]- 278.176161 191.5
[M+Na-2H]- 240.136976 156.0
[M]+ 219.16176142 160.2
[M]- 219.16285858 160.2
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