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]+ 196.16959 146.9
[M+Na]+ 218.15153 154.9
[M-H]- 194.15503 151.5
[M+NH4]+ 213.19613 167.5
[M+K]+ 234.12547 153.7
[M+H-H2O]+ 178.15957 141.5
[M+HCOO]- 240.16051 171.4
[M+CH3COO]- 254.17616 190.7
[M+Na-2H]- 216.13698 150.4
[M]+ 195.16176 151.0
[M]- 195.16286 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.