CID 16780354

3-[(3,5-dimethoxyphenyl)methyl]azetidine hydrochloride

Structural Information

Molecular Formula
C12H17NO2
SMILES
COC1=CC(=CC(=C1)CC2CNC2)OC
InChI
InChI=1S/C12H17NO2/c1-14-11-4-9(3-10-7-13-8-10)5-12(6-11)15-2/h4-6,10,13H,3,7-8H2,1-2H3
InChIKey
JWGKXCYLXPKNAP-UHFFFAOYSA-N
Compound name
3-[(3,5-dimethoxyphenyl)methyl]azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

207.12593 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 143.6
[M+Na]+ 230.11515 149.5
[M-H]- 206.11865 147.3
[M+NH4]+ 225.15975 154.4
[M+K]+ 246.08909 150.1
[M+H-H2O]+ 190.12319 131.4
[M+HCOO]- 252.12413 163.1
[M+CH3COO]- 266.13978 188.1
[M+Na-2H]- 228.10060 148.1
[M]+ 207.12538 152.6
[M]- 207.12648 152.6
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