CID 62601067

2-(oxan-4-yl)-1-phenylethan-1-amine

Structural Information

Molecular Formula
C13H19NO
SMILES
C1COCCC1CC(C2=CC=CC=C2)N
InChI
InChI=1S/C13H19NO/c14-13(12-4-2-1-3-5-12)10-11-6-8-15-9-7-11/h1-5,11,13H,6-10,14H2
InChIKey
YVOLKFVPQYVOOC-UHFFFAOYSA-N
Compound name
2-(oxan-4-yl)-1-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.14667 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.15395 149.1
[M+Na]+ 228.13589 160.5
[M+NH4]+ 223.18049 158.3
[M+K]+ 244.10983 153.7
[M-H]- 204.13939 155.4
[M+Na-2H]- 226.12134 156.2
[M]+ 205.14612 152.4
[M]- 205.14722 152.4
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.