CID 62905123

(4-methoxyphenyl)(oxan-4-yl)methanamine hydrochloride

Structural Information

Molecular Formula
C13H19NO2
SMILES
COC1=CC=C(C=C1)C(C2CCOCC2)N
InChI
InChI=1S/C13H19NO2/c1-15-12-4-2-10(3-5-12)13(14)11-6-8-16-9-7-11/h2-5,11,13H,6-9,14H2,1H3
InChIKey
QGVQOCJNKXAXSG-UHFFFAOYSA-N
Compound name
(4-methoxyphenyl)-(oxan-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.14159 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14887 151.5
[M+Na]+ 244.13081 155.3
[M-H]- 220.13431 157.4
[M+NH4]+ 239.17541 167.5
[M+K]+ 260.10475 154.4
[M+H-H2O]+ 204.13885 144.0
[M+HCOO]- 266.13979 170.8
[M+CH3COO]- 280.15544 190.3
[M+Na-2H]- 242.11626 155.3
[M]+ 221.14104 147.5
[M]- 221.14214 147.5
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.