CID 12357231

4-(furan-2-yl)butan-1-amine

Structural Information

Molecular Formula
C8H13NO
SMILES
C1=COC(=C1)CCCCN
InChI
InChI=1S/C8H13NO/c9-6-2-1-4-8-5-3-7-10-8/h3,5,7H,1-2,4,6,9H2
InChIKey
XMXGXMKQAWDJBX-UHFFFAOYSA-N
Compound name
4-(furan-2-yl)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

139.09972 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.106996 129.4
[M+Na]+ 162.088938 136.3
[M-H]- 138.092444 132.9
[M+NH4]+ 157.133543 151.0
[M+K]+ 178.062878 135.8
[M+H-H2O]+ 122.096980 123.8
[M+HCOO]- 184.097921 154.7
[M+CH3COO]- 198.113571 174.5
[M+Na-2H]- 160.074386 136.1
[M]+ 139.09917142 129.9
[M]- 139.10026858 129.9
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