CID 47002630

Methyl[(2-phenyloxan-3-yl)methyl]amine

Structural Information

Molecular Formula
C13H19NO
SMILES
CNCC1CCCOC1C2=CC=CC=C2
InChI
InChI=1S/C13H19NO/c1-14-10-12-8-5-9-15-13(12)11-6-3-2-4-7-11/h2-4,6-7,12-14H,5,8-10H2,1H3
InChIKey
ZXKAIBMKDZEEGN-UHFFFAOYSA-N
Compound name
N-methyl-1-(2-phenyloxan-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.14667 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.153946 147.2
[M+Na]+ 228.135888 151.3
[M-H]- 204.139394 153.5
[M+NH4]+ 223.180493 164.2
[M+K]+ 244.109828 149.7
[M+H-H2O]+ 188.143930 139.8
[M+HCOO]- 250.144871 167.9
[M+CH3COO]- 264.160521 188.0
[M+Na-2H]- 226.121336 153.3
[M]+ 205.14612142 143.3
[M]- 205.14721858 143.3
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

No patent data available for this compound.