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 144.8
[M+Na]+ 248.08126 152.0
[M-H]- 224.08476 148.4
[M+NH4]+ 243.12586 157.6
[M+K]+ 264.05520 149.9
[M+H-H2O]+ 208.08930 134.4
[M+HCOO]- 270.09024 159.9
[M+CH3COO]- 284.10589 188.2
[M+Na-2H]- 246.06671 150.9
[M]+ 225.09149 154.3
[M]- 225.09259 154.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.