CID 65152933

Butyl[(trimethylfuran-3-yl)methyl]amine

Structural Information

Molecular Formula
C12H21NO
SMILES
CCCCNCC1=C(OC(=C1C)C)C
InChI
InChI=1S/C12H21NO/c1-5-6-7-13-8-12-9(2)10(3)14-11(12)4/h13H,5-8H2,1-4H3
InChIKey
ULSSQYKMHVHSBS-UHFFFAOYSA-N
Compound name
N-[(2,4,5-trimethylfuran-3-yl)methyl]butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.16231 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.169586 146.9
[M+Na]+ 218.151528 154.9
[M-H]- 194.155034 151.5
[M+NH4]+ 213.196133 167.5
[M+K]+ 234.125468 153.7
[M+H-H2O]+ 178.159570 141.5
[M+HCOO]- 240.160511 171.4
[M+CH3COO]- 254.176161 190.7
[M+Na-2H]- 216.136976 150.4
[M]+ 195.16176142 151.0
[M]- 195.16285858 151.0
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.