CID 776373

4-({[(furan-2-yl)methyl]amino}methyl)-n,n-dimethylaniline

Structural Information

Molecular Formula
C14H18N2O
SMILES
CN(C)C1=CC=C(C=C1)CNCC2=CC=CO2
InChI
InChI=1S/C14H18N2O/c1-16(2)13-7-5-12(6-8-13)10-15-11-14-4-3-9-17-14/h3-9,15H,10-11H2,1-2H3
InChIKey
CTIJIFPFXXKIKH-UHFFFAOYSA-N
Compound name
4-[(furan-2-ylmethylamino)methyl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

230.1419 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.149176 153.7
[M+Na]+ 253.131118 159.6
[M-H]- 229.134624 162.4
[M+NH4]+ 248.175723 172.1
[M+K]+ 269.105058 158.6
[M+H-H2O]+ 213.139160 146.0
[M+HCOO]- 275.140101 180.7
[M+CH3COO]- 289.155751 198.3
[M+Na-2H]- 251.116566 159.3
[M]+ 230.14135142 155.8
[M]- 230.14244858 155.8
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

patents stripe