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]+ 231.14918 153.7
[M+Na]+ 253.13112 159.6
[M-H]- 229.13462 162.4
[M+NH4]+ 248.17572 172.1
[M+K]+ 269.10506 158.6
[M+H-H2O]+ 213.13916 146.0
[M+HCOO]- 275.14010 180.7
[M+CH3COO]- 289.15575 198.3
[M+Na-2H]- 251.11657 159.3
[M]+ 230.14135 155.8
[M]- 230.14245 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