CID 63107387

3-(3-phenoxypropoxy)azetidine hydrochloride

Structural Information

Molecular Formula
C12H17NO2
SMILES
C1C(CN1)OCCCOC2=CC=CC=C2
InChI
InChI=1S/C12H17NO2/c1-2-5-11(6-3-1)14-7-4-8-15-12-9-13-10-12/h1-3,5-6,12-13H,4,7-10H2
InChIKey
BUDYVDBVQOWWCD-UHFFFAOYSA-N
Compound name
3-(3-phenoxypropoxy)azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.12593 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 142.5
[M+Na]+ 230.11515 146.6
[M-H]- 206.11865 145.5
[M+NH4]+ 225.15975 152.6
[M+K]+ 246.08909 147.1
[M+H-H2O]+ 190.12319 129.8
[M+HCOO]- 252.12413 162.1
[M+CH3COO]- 266.13978 185.9
[M+Na-2H]- 228.10060 148.6
[M]+ 207.12538 150.7
[M]- 207.12648 150.7
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.