CID 53343747

(1-benzyl-2-methylazetidin-2-yl)methanol

Structural Information

Molecular Formula
C12H17NO
SMILES
CC1(CCN1CC2=CC=CC=C2)CO
InChI
InChI=1S/C12H17NO/c1-12(10-14)7-8-13(12)9-11-5-3-2-4-6-11/h2-6,14H,7-10H2,1H3
InChIKey
WBDSZTLSLJMLIR-UHFFFAOYSA-N
Compound name
(1-benzyl-2-methylazetidin-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.13101 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 141.6
[M+Na]+ 214.12023 149.9
[M+NH4]+ 209.16483 147.7
[M+K]+ 230.09417 143.2
[M-H]- 190.12373 141.9
[M+Na-2H]- 212.10568 148.1
[M]+ 191.13046 141.8
[M]- 191.13156 141.8
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

No patent data available for this compound.