CID 782822

Benzyl(methyl)[(5-methylfuran-2-yl)methyl]amine

Structural Information

Molecular Formula
C14H17NO
SMILES
CC1=CC=C(O1)CN(C)CC2=CC=CC=C2
InChI
InChI=1S/C14H17NO/c1-12-8-9-14(16-12)11-15(2)10-13-6-4-3-5-7-13/h3-9H,10-11H2,1-2H3
InChIKey
PLXKOSIEYNAHBU-UHFFFAOYSA-N
Compound name
N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-phenylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

215.13101 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.13829 149.7
[M+Na]+ 238.12023 162.8
[M+NH4]+ 233.16483 159.1
[M+K]+ 254.09417 157.3
[M-H]- 214.12373 156.3
[M+Na-2H]- 236.10568 158.3
[M]+ 215.13046 153.5
[M]- 215.13156 153.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.