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]+ 202.122646 144.2
[M+Na]+ 224.104588 151.4
[M-H]- 200.108094 151.6
[M+NH4]+ 219.149193 163.5
[M+K]+ 240.078528 149.3
[M+H-H2O]+ 184.112630 137.5
[M+HCOO]- 246.113571 170.1
[M+CH3COO]- 260.129221 186.9
[M+Na-2H]- 222.090036 150.8
[M]+ 201.11482142 145.4
[M]- 201.11591858 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.