CID 43178007

Butyl[1-(5-methylfuran-2-yl)ethyl]amine

Structural Information

Molecular Formula
C11H19NO
SMILES
CCCCNC(C)C1=CC=C(O1)C
InChI
InChI=1S/C11H19NO/c1-4-5-8-12-10(3)11-7-6-9(2)13-11/h6-7,10,12H,4-5,8H2,1-3H3
InChIKey
AKZGSNHKFAIWDO-UHFFFAOYSA-N
Compound name
N-[1-(5-methylfuran-2-yl)ethyl]butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.14667 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.153946 144.0
[M+Na]+ 204.135888 150.3
[M-H]- 180.139394 148.1
[M+NH4]+ 199.180493 164.5
[M+K]+ 220.109828 149.8
[M+H-H2O]+ 164.143930 138.2
[M+HCOO]- 226.144871 167.9
[M+CH3COO]- 240.160521 186.2
[M+Na-2H]- 202.121336 148.1
[M]+ 181.14612142 146.3
[M]- 181.14721858 146.3
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.