CID 29816

19832-26-9

Structural Information

Molecular Formula
C12H17NO
SMILES
CC1(CN(C1)C)C2=CC(=CC=C2)OC
InChI
InChI=1S/C12H17NO/c1-12(8-13(2)9-12)10-5-4-6-11(7-10)14-3/h4-7H,8-9H2,1-3H3
InChIKey
BBKZHHVTZDNSHC-UHFFFAOYSA-N
Compound name
3-(3-methoxyphenyl)-1,3-dimethylazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.13101 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 140.6
[M+Na]+ 214.12023 148.1
[M-H]- 190.12373 146.3
[M+NH4]+ 209.16483 154.9
[M+K]+ 230.09417 149.0
[M+H-H2O]+ 174.12827 129.6
[M+HCOO]- 236.12921 161.5
[M+CH3COO]- 250.14486 188.2
[M+Na-2H]- 212.10568 146.6
[M]+ 191.13046 150.4
[M]- 191.13156 150.4
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.