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 145.0
[M+Na]+ 224.10459 158.6
[M+NH4]+ 219.14919 154.4
[M+K]+ 240.07853 153.0
[M-H]- 200.10809 151.4
[M+Na-2H]- 222.09004 153.4
[M]+ 201.11482 148.8
[M]- 201.11592 148.8
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.