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

0
Patents

139.09972 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.10700 130.6
[M+Na]+ 162.08894 137.2
[M-H]- 138.09244 134.3
[M+NH4]+ 157.13354 152.1
[M+K]+ 178.06288 137.2
[M+H-H2O]+ 122.09698 125.0
[M+HCOO]- 184.09792 154.8
[M+CH3COO]- 198.11357 175.3
[M+Na-2H]- 160.07439 135.9
[M]+ 139.09917 130.4
[M]- 139.10027 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