CID 137951754

(2-phenyloxan-2-yl)methanamine

Structural Information

Molecular Formula
C12H17NO
SMILES
C1CCOC(C1)(CN)C2=CC=CC=C2
InChI
InChI=1S/C12H17NO/c13-10-12(8-4-5-9-14-12)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10,13H2
InChIKey
FHZMKNSHUFACQL-UHFFFAOYSA-N
Compound name
(2-phenyloxan-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.13101 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 144.3
[M+Na]+ 214.12023 156.4
[M+NH4]+ 209.16483 155.2
[M+K]+ 230.09417 147.4
[M-H]- 190.12373 150.8
[M+Na-2H]- 212.10568 153.6
[M]+ 191.13046 148.0
[M]- 191.13156 148.0
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.