CID 68526000

[4-(oxan-2-yloxy)phenyl]methanamine

Structural Information

Molecular Formula
C12H17NO2
SMILES
C1CCOC(C1)OC2=CC=C(C=C2)CN
InChI
InChI=1S/C12H17NO2/c13-9-10-4-6-11(7-5-10)15-12-3-1-2-8-14-12/h4-7,12H,1-3,8-9,13H2
InChIKey
LCYFUCXYEJHWDR-UHFFFAOYSA-N
Compound name
[4-(oxan-2-yloxy)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

207.12593 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 147.0
[M+Na]+ 230.11515 158.9
[M+NH4]+ 225.15975 155.9
[M+K]+ 246.08909 152.3
[M-H]- 206.11865 153.1
[M+Na-2H]- 228.10060 154.1
[M]+ 207.12538 150.3
[M]- 207.12648 150.3
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

patents stripe