CID 29818

Azetidine, 3-ethyl-3-(m-methoxyphenyl)-1-methyl-

Structural Information

Molecular Formula
C13H19NO
SMILES
CCC1(CN(C1)C)C2=CC(=CC=C2)OC
InChI
InChI=1S/C13H19NO/c1-4-13(9-14(2)10-13)11-6-5-7-12(8-11)15-3/h5-8H,4,9-10H2,1-3H3
InChIKey
YBEDBXNUCCCITN-UHFFFAOYSA-N
Compound name
3-ethyl-3-(3-methoxyphenyl)-1-methylazetidine
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 145.2
[M+Na]+ 228.13589 152.3
[M-H]- 204.13939 150.7
[M+NH4]+ 223.18049 159.0
[M+K]+ 244.10983 153.0
[M+H-H2O]+ 188.14393 134.0
[M+HCOO]- 250.14487 165.8
[M+CH3COO]- 264.16052 191.1
[M+Na-2H]- 226.12134 150.8
[M]+ 205.14612 155.4
[M]- 205.14722 155.4
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.