CID 777704

Furan-2-ylmethyl-(3-methyl-benzyl)-amine

Structural Information

Molecular Formula
C13H15NO
SMILES
CC1=CC(=CC=C1)CNCC2=CC=CO2
InChI
InChI=1S/C13H15NO/c1-11-4-2-5-12(8-11)9-14-10-13-6-3-7-15-13/h2-8,14H,9-10H2,1H3
InChIKey
ROEXOLUOFYVMGT-UHFFFAOYSA-N
Compound name
N-(furan-2-ylmethyl)-1-(3-methylphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.11537 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.12265 144.2
[M+Na]+ 224.10459 151.4
[M-H]- 200.10809 151.6
[M+NH4]+ 219.14919 163.5
[M+K]+ 240.07853 149.3
[M+H-H2O]+ 184.11263 137.5
[M+HCOO]- 246.11357 170.1
[M+CH3COO]- 260.12922 186.9
[M+Na-2H]- 222.09004 150.8
[M]+ 201.11482 145.4
[M]- 201.11592 145.4
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.