CID 60743879

[(5-methylfuran-2-yl)methyl](4-methylpentyl)amine

Structural Information

Molecular Formula
C12H21NO
SMILES
CC1=CC=C(O1)CNCCCC(C)C
InChI
InChI=1S/C12H21NO/c1-10(2)5-4-8-13-9-12-7-6-11(3)14-12/h6-7,10,13H,4-5,8-9H2,1-3H3
InChIKey
TYAQKOWKXADIMC-UHFFFAOYSA-N
Compound name
4-methyl-N-[(5-methylfuran-2-yl)methyl]pentan-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 147.6
[M+Na]+ 218.15153 157.6
[M+NH4]+ 213.19613 155.7
[M+K]+ 234.12547 153.2
[M-H]- 194.15503 150.8
[M+Na-2H]- 216.13698 151.8
[M]+ 195.16176 149.8
[M]- 195.16286 149.8
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.