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

14
Patents

139.09972 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.10700 129.4
[M+Na]+ 162.08894 136.3
[M-H]- 138.09244 132.9
[M+NH4]+ 157.13354 151.0
[M+K]+ 178.06288 135.8
[M+H-H2O]+ 122.09698 123.8
[M+HCOO]- 184.09792 154.7
[M+CH3COO]- 198.11357 174.5
[M+Na-2H]- 160.07439 136.1
[M]+ 139.09917 129.9
[M]- 139.10027 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