CID 775184

N-(furan-2-ylmethyl)-3,4-dimethylaniline

Structural Information

Molecular Formula
C13H15NO
SMILES
CC1=C(C=C(C=C1)NCC2=CC=CO2)C
InChI
InChI=1S/C13H15NO/c1-10-5-6-12(8-11(10)2)14-9-13-4-3-7-15-13/h3-8,14H,9H2,1-2H3
InChIKey
SPXKYWDKBVGKMB-UHFFFAOYSA-N
Compound name
N-(furan-2-ylmethyl)-3,4-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.11537 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.12265 144.1
[M+Na]+ 224.10459 152.3
[M-H]- 200.10809 152.0
[M+NH4]+ 219.14919 163.8
[M+K]+ 240.07853 150.2
[M+H-H2O]+ 184.11263 137.7
[M+HCOO]- 246.11357 170.0
[M+CH3COO]- 260.12922 188.0
[M+Na-2H]- 222.09004 150.1
[M]+ 201.11482 145.8
[M]- 201.11592 145.8
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.