CID 47002136

3-methoxy-3-phenylazetidine hydrochloride

Structural Information

Molecular Formula
C10H13NO
SMILES
COC1(CNC1)C2=CC=CC=C2
InChI
InChI=1S/C10H13NO/c1-12-10(7-11-8-10)9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3
InChIKey
UQZZKRPLWZRFPB-UHFFFAOYSA-N
Compound name
3-methoxy-3-phenylazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

163.09972 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.10700 133.2
[M+Na]+ 186.08894 139.4
[M-H]- 162.09244 137.2
[M+NH4]+ 181.13354 147.3
[M+K]+ 202.06288 139.9
[M+H-H2O]+ 146.09698 122.3
[M+HCOO]- 208.09792 153.3
[M+CH3COO]- 222.11357 177.7
[M+Na-2H]- 184.07439 141.2
[M]+ 163.09917 139.7
[M]- 163.10027 139.7
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

patents stripe