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

12
Patents

207.12593 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.133206 143.6
[M+Na]+ 230.115148 149.5
[M-H]- 206.118654 147.3
[M+NH4]+ 225.159753 154.4
[M+K]+ 246.089088 150.1
[M+H-H2O]+ 190.123190 131.4
[M+HCOO]- 252.124131 163.1
[M+CH3COO]- 266.139781 188.1
[M+Na-2H]- 228.100596 148.1
[M]+ 207.12538142 152.6
[M]- 207.12647858 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