CID 53409284

3-(3-phenylpropoxy)azetidine hydrochloride

Structural Information

Molecular Formula
C12H17NO
SMILES
C1C(CN1)OCCCC2=CC=CC=C2
InChI
InChI=1S/C12H17NO/c1-2-5-11(6-3-1)7-4-8-14-12-9-13-10-12/h1-3,5-6,12-13H,4,7-10H2
InChIKey
OYMDGHCTSJACIM-UHFFFAOYSA-N
Compound name
3-(3-phenylpropoxy)azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

191.13101 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.138286 140.0
[M+Na]+ 214.120228 144.3
[M-H]- 190.123734 143.0
[M+NH4]+ 209.164833 150.9
[M+K]+ 230.094168 144.3
[M+H-H2O]+ 174.128270 127.6
[M+HCOO]- 236.129211 159.4
[M+CH3COO]- 250.144861 184.0
[M+Na-2H]- 212.105676 146.0
[M]+ 191.13046142 146.8
[M]- 191.13155858 146.8
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