CID 29819

Azetidine, 3-(m-methoxyphenyl)-3-propyl-

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

0
Patents

205.14667 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.15395 147.1
[M+Na]+ 228.13589 152.8
[M-H]- 204.13939 150.8
[M+NH4]+ 223.18049 159.7
[M+K]+ 244.10983 152.6
[M+H-H2O]+ 188.14393 135.7
[M+HCOO]- 250.14487 166.1
[M+CH3COO]- 264.16052 187.5
[M+Na-2H]- 226.12134 152.7
[M]+ 205.14612 154.9
[M]- 205.14722 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