CID 43682886

2-tert-butyl-n-[(furan-2-yl)methyl]aniline

Structural Information

Molecular Formula
C15H19NO
SMILES
CC(C)(C)C1=CC=CC=C1NCC2=CC=CO2
InChI
InChI=1S/C15H19NO/c1-15(2,3)13-8-4-5-9-14(13)16-11-12-7-6-10-17-12/h4-10,16H,11H2,1-3H3
InChIKey
UDDPTBRKVVWREA-UHFFFAOYSA-N
Compound name
2-tert-butyl-N-(furan-2-ylmethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.14667 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.153946 153.7
[M+Na]+ 252.135888 160.6
[M-H]- 228.139394 161.2
[M+NH4]+ 247.180493 172.2
[M+K]+ 268.109828 158.5
[M+H-H2O]+ 212.143930 147.4
[M+HCOO]- 274.144871 177.4
[M+CH3COO]- 288.160521 192.6
[M+Na-2H]- 250.121336 160.1
[M]+ 229.14612142 155.2
[M]- 229.14721858 155.2
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.