CID 205008

3-(1-methyl-3-propylazetidin-3-yl)phenol

Structural Information

Molecular Formula
C13H19NO
SMILES
CCCC1(CN(C1)C)C2=CC(=CC=C2)O
InChI
InChI=1S/C13H19NO/c1-3-7-13(9-14(2)10-13)11-5-4-6-12(15)8-11/h4-6,8,15H,3,7,9-10H2,1-2H3
InChIKey
CFDYNSALJJBAEH-UHFFFAOYSA-N
Compound name
3-(1-methyl-3-propylazetidin-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

205.14667 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.153946 147.0
[M+Na]+ 228.135888 153.7
[M-H]- 204.139394 151.1
[M+NH4]+ 223.180493 160.0
[M+K]+ 244.109828 153.5
[M+H-H2O]+ 188.143930 136.0
[M+HCOO]- 250.144871 166.1
[M+CH3COO]- 264.160521 188.6
[M+Na-2H]- 226.121336 151.9
[M]+ 205.14612142 155.3
[M]- 205.14721858 155.3
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