CID 59651699

3-(phenoxymethyl)azetidine hydrochloride

Structural Information

Molecular Formula
C10H13NO
SMILES
C1C(CN1)COC2=CC=CC=C2
InChI
InChI=1S/C10H13NO/c1-2-4-10(5-3-1)12-8-9-6-11-7-9/h1-5,9,11H,6-8H2
InChIKey
LBLNHECECZRKOS-UHFFFAOYSA-N
Compound name
3-(phenoxymethyl)azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

163.09972 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.10700 130.7
[M+Na]+ 186.08894 135.9
[M-H]- 162.09244 134.1
[M+NH4]+ 181.13354 142.7
[M+K]+ 202.06288 136.4
[M+H-H2O]+ 146.09698 118.7
[M+HCOO]- 208.09792 150.8
[M+CH3COO]- 222.11357 178.1
[M+Na-2H]- 184.07439 137.9
[M]+ 163.09917 136.9
[M]- 163.10027 136.9
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