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 143.4
[M+Na]+ 214.12023 148.0
[M-H]- 190.12373 149.4
[M+NH4]+ 209.16483 162.5
[M+K]+ 230.09417 146.6
[M+H-H2O]+ 174.12827 136.6
[M+HCOO]- 236.12921 163.9
[M+CH3COO]- 250.14486 182.7
[M+Na-2H]- 212.10568 150.7
[M]+ 191.13046 138.1
[M]- 191.13156 138.1
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.