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]+ 154.12265 134.1
[M+Na]+ 176.10459 140.5
[M-H]- 152.10809 137.4
[M+NH4]+ 171.14919 155.1
[M+K]+ 192.07853 139.8
[M+H-H2O]+ 136.11263 128.3
[M+HCOO]- 198.11357 159.0
[M+CH3COO]- 212.12922 177.5
[M+Na-2H]- 174.09004 140.2
[M]+ 153.11482 134.9
[M]- 153.11592 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