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]+ 196.169586 148.7
[M+Na]+ 218.151528 154.6
[M-H]- 194.155034 152.6
[M+NH4]+ 213.196133 168.6
[M+K]+ 234.125468 153.9
[M+H-H2O]+ 178.159570 142.7
[M+HCOO]- 240.160511 172.3
[M+CH3COO]- 254.176161 189.2
[M+Na-2H]- 216.136976 152.3
[M]+ 195.16176142 151.4
[M]- 195.16285858 151.4
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.