CID 2772029

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

Structural Information

Molecular Formula
C8H13NO
SMILES
CC(CCC1=CC=CO1)N
InChI
InChI=1S/C8H13NO/c1-7(9)4-5-8-3-2-6-10-8/h2-3,6-7H,4-5,9H2,1H3
InChIKey
FMXPHTQMUMXJKJ-UHFFFAOYSA-N
Compound name
4-(furan-2-yl)butan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

9
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 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

literature stripe

Patent stripe

patents stripe