CID 1553064

5-(furan-2-yl)pentan-1-amine

Structural Information

Molecular Formula
C9H15NO
SMILES
C1=COC(=C1)CCCCCN
InChI
InChI=1S/C9H15NO/c10-7-3-1-2-5-9-6-4-8-11-9/h4,6,8H,1-3,5,7,10H2
InChIKey
UPKWXHKEVDTUAS-UHFFFAOYSA-N
Compound name
5-(furan-2-yl)pentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

153.11537 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.122646 134.1
[M+Na]+ 176.104588 140.5
[M-H]- 152.108094 137.4
[M+NH4]+ 171.149193 155.1
[M+K]+ 192.078528 139.8
[M+H-H2O]+ 136.112630 128.3
[M+HCOO]- 198.113571 159.0
[M+CH3COO]- 212.129221 177.5
[M+Na-2H]- 174.090036 140.2
[M]+ 153.11482142 134.9
[M]- 153.11591858 134.9
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

patents stripe