CID 95439667

3-[4-(2-methoxyethoxy)phenyl]azetidine hydrochloride

Structural Information

Molecular Formula
C12H17NO2
SMILES
COCCOC1=CC=C(C=C1)C2CNC2
InChI
InChI=1S/C12H17NO2/c1-14-6-7-15-12-4-2-10(3-5-12)11-8-13-9-11/h2-5,11,13H,6-9H2,1H3
InChIKey
KNHOJTBZVJSLBX-UHFFFAOYSA-N
Compound name
3-[4-(2-methoxyethoxy)phenyl]azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.12593 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 143.1
[M+Na]+ 230.11515 148.1
[M-H]- 206.11865 146.5
[M+NH4]+ 225.15975 153.6
[M+K]+ 246.08909 148.7
[M+H-H2O]+ 190.12319 130.6
[M+HCOO]- 252.12413 162.7
[M+CH3COO]- 266.13978 187.0
[M+Na-2H]- 228.10060 148.4
[M]+ 207.12538 151.7
[M]- 207.12648 151.7
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.