CID 29819

3-(3-methoxyphenyl)-3-propylazetidine

Structural Information

Molecular Formula
C13H19NO
SMILES
CCCC1(CNC1)C2=CC(=CC=C2)OC
InChI
InChI=1S/C13H19NO/c1-3-7-13(9-14-10-13)11-5-4-6-12(8-11)15-2/h4-6,8,14H,3,7,9-10H2,1-2H3
InChIKey
HFYKQNOJNNJVAS-UHFFFAOYSA-N
Compound name
3-(3-methoxyphenyl)-3-propylazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

205.14667 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.153946 147.1
[M+Na]+ 228.135888 152.8
[M-H]- 204.139394 150.8
[M+NH4]+ 223.180493 159.7
[M+K]+ 244.109828 152.6
[M+H-H2O]+ 188.143930 135.7
[M+HCOO]- 250.144871 166.1
[M+CH3COO]- 264.160521 187.5
[M+Na-2H]- 226.121336 152.7
[M]+ 205.14612142 154.9
[M]- 205.14721858 154.9
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