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]+ 192.13829 140.0
[M+Na]+ 214.12023 144.3
[M-H]- 190.12373 143.0
[M+NH4]+ 209.16483 150.9
[M+K]+ 230.09417 144.3
[M+H-H2O]+ 174.12827 127.6
[M+HCOO]- 236.12921 159.4
[M+CH3COO]- 250.14486 184.0
[M+Na-2H]- 212.10568 146.0
[M]+ 191.13046 146.8
[M]- 191.13156 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