CID 16495013

[(5-methylfuran-2-yl)methyl](pentan-3-yl)amine

Structural Information

Molecular Formula
C11H19NO
SMILES
CCC(CC)NCC1=CC=C(O1)C
InChI
InChI=1S/C11H19NO/c1-4-10(5-2)12-8-11-7-6-9(3)13-11/h6-7,10,12H,4-5,8H2,1-3H3
InChIKey
CTFKWROUTDOPGL-UHFFFAOYSA-N
Compound name
N-[(5-methylfuran-2-yl)methyl]pentan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.14667 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.15395 144.0
[M+Na]+ 204.13589 150.3
[M-H]- 180.13939 148.1
[M+NH4]+ 199.18049 164.5
[M+K]+ 220.10983 149.8
[M+H-H2O]+ 164.14393 138.2
[M+HCOO]- 226.14487 167.9
[M+CH3COO]- 240.16052 186.2
[M+Na-2H]- 202.12134 148.1
[M]+ 181.14612 146.3
[M]- 181.14722 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.