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]+ 206.15395 147.2
[M+Na]+ 228.13589 151.3
[M-H]- 204.13939 153.5
[M+NH4]+ 223.18049 164.2
[M+K]+ 244.10983 149.7
[M+H-H2O]+ 188.14393 139.8
[M+HCOO]- 250.14487 167.9
[M+CH3COO]- 264.16052 188.0
[M+Na-2H]- 226.12134 153.3
[M]+ 205.14612 143.3
[M]- 205.14722 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.