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 149.5
[M+Na]+ 238.12023 156.4
[M-H]- 214.12373 158.3
[M+NH4]+ 233.16483 169.0
[M+K]+ 254.09417 155.5
[M+H-H2O]+ 198.12827 142.5
[M+HCOO]- 260.12921 175.6
[M+CH3COO]- 274.14486 193.4
[M+Na-2H]- 236.10568 154.8
[M]+ 215.13046 152.4
[M]- 215.13156 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

literature stripe

Patent stripe

No patent data available for this compound.