CID 135038184

[1-benzyl-3-(chloromethyl)azetidin-3-yl]methanol

Structural Information

Molecular Formula
C12H16ClNO
SMILES
C1C(CN1CC2=CC=CC=C2)(CO)CCl
InChI
InChI=1S/C12H16ClNO/c13-7-12(10-15)8-14(9-12)6-11-4-2-1-3-5-11/h1-5,15H,6-10H2
InChIKey
ASMKHVSMGAVIKJ-UHFFFAOYSA-N
Compound name
[1-benzyl-3-(chloromethyl)azetidin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.09204 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.09932 144.0
[M+Na]+ 248.08126 153.2
[M+NH4]+ 243.12586 150.4
[M+K]+ 264.05520 145.8
[M-H]- 224.08476 144.4
[M+Na-2H]- 246.06671 150.8
[M]+ 225.09149 144.7
[M]- 225.09259 144.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

No patent data available for this compound.