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 153.7
[M+Na]+ 252.13589 160.6
[M-H]- 228.13939 161.2
[M+NH4]+ 247.18049 172.2
[M+K]+ 268.10983 158.5
[M+H-H2O]+ 212.14393 147.4
[M+HCOO]- 274.14487 177.4
[M+CH3COO]- 288.16052 192.6
[M+Na-2H]- 250.12134 160.1
[M]+ 229.14612 155.2
[M]- 229.14722 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.