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]+ 230.15395 154.5
[M+Na]+ 252.13589 166.9
[M+NH4]+ 247.18049 163.3
[M+K]+ 268.10983 161.9
[M-H]- 228.13939 160.1
[M+Na-2H]- 250.12134 162.5
[M]+ 229.14612 158.0
[M]- 229.14722 158.0
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.