CID 13377567

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

Structural Information

Molecular Formula
C8H13NO
SMILES
CCCC(C1=CC=CO1)N
InChI
InChI=1S/C8H13NO/c1-2-4-7(9)8-5-3-6-10-8/h3,5-7H,2,4,9H2,1H3
InChIKey
UNNGDZIQTSGWFG-UHFFFAOYSA-N
Compound name
1-(furan-2-yl)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

139.09972 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.106996 130.6
[M+Na]+ 162.088938 137.2
[M-H]- 138.092444 134.3
[M+NH4]+ 157.133543 152.1
[M+K]+ 178.062878 137.2
[M+H-H2O]+ 122.096980 125.0
[M+HCOO]- 184.097921 154.8
[M+CH3COO]- 198.113571 175.3
[M+Na-2H]- 160.074386 135.9
[M]+ 139.09917142 130.4
[M]- 139.10026858 130.4
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

patents stripe