CID 84130384

2-(3,4-dimethoxyphenyl)-3,3-dimethylazetidine

Structural Information

Molecular Formula
C13H19NO2
SMILES
CC1(CNC1C2=CC(=C(C=C2)OC)OC)C
InChI
InChI=1S/C13H19NO2/c1-13(2)8-14-12(13)9-5-6-10(15-3)11(7-9)16-4/h5-7,12,14H,8H2,1-4H3
InChIKey
ACWICNAJFFNHEF-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-3,3-dimethylazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.14159 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14887 149.7
[M+Na]+ 244.13081 157.0
[M-H]- 220.13431 154.1
[M+NH4]+ 239.17541 162.2
[M+K]+ 260.10475 157.4
[M+H-H2O]+ 204.13885 138.7
[M+HCOO]- 266.13979 168.8
[M+CH3COO]- 280.15544 191.7
[M+Na-2H]- 242.11626 153.9
[M]+ 221.14104 159.7
[M]- 221.14214 159.7
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.