CID 48719

3-(m-methoxyphenyl)-3-methylazetidine

Structural Information

Molecular Formula
C11H15NO
SMILES
CC1(CNC1)C2=CC(=CC=C2)OC
InChI
InChI=1S/C11H15NO/c1-11(7-12-8-11)9-4-3-5-10(6-9)13-2/h3-6,12H,7-8H2,1-2H3
InChIKey
KATCZHLLWHRLRC-UHFFFAOYSA-N
Compound name
3-(3-methoxyphenyl)-3-methylazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.11537 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.12265 137.9
[M+Na]+ 200.10459 144.5
[M-H]- 176.10809 142.0
[M+NH4]+ 195.14919 151.7
[M+K]+ 216.07853 144.7
[M+H-H2O]+ 160.11263 127.0
[M+HCOO]- 222.11357 157.6
[M+CH3COO]- 236.12922 181.6
[M+Na-2H]- 198.09004 144.6
[M]+ 177.11482 145.1
[M]- 177.11592 145.1
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.