CID 342471

21145-14-2

Structural Information

Molecular Formula
C16H17NO
SMILES
CC1(COC1(C2=CC=CC=C2)C3=CN=CC=C3)C
InChI
InChI=1S/C16H17NO/c1-15(2)12-18-16(15,13-7-4-3-5-8-13)14-9-6-10-17-11-14/h3-11H,12H2,1-2H3
InChIKey
NSRUNHOHXPFWED-UHFFFAOYSA-N
Compound name
3-(3,3-dimethyl-2-phenyloxetan-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.13101 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.13829 151.6
[M+Na]+ 262.12023 159.3
[M-H]- 238.12373 160.8
[M+NH4]+ 257.16483 164.0
[M+K]+ 278.09417 159.9
[M+H-H2O]+ 222.12827 139.2
[M+HCOO]- 284.12921 171.8
[M+CH3COO]- 298.14486 164.2
[M+Na-2H]- 260.10568 160.3
[M]+ 239.13046 160.7
[M]- 239.13156 160.7
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.