CID 2772204

17369-80-1

Structural Information

Molecular Formula
C8H13NO
SMILES
CNCCCC1=CC=CO1
InChI
InChI=1S/C8H13NO/c1-9-6-2-4-8-5-3-7-10-8/h3,5,7,9H,2,4,6H2,1H3
InChIKey
GKIUEIPANNQGFU-UHFFFAOYSA-N
Compound name
3-(furan-2-yl)-N-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

19
Patents

139.09972 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.106996 129.1
[M+Na]+ 162.088938 135.9
[M-H]- 138.092444 133.1
[M+NH4]+ 157.133543 150.9
[M+K]+ 178.062878 135.8
[M+H-H2O]+ 122.096980 123.5
[M+HCOO]- 184.097921 154.9
[M+CH3COO]- 198.113571 175.2
[M+Na-2H]- 160.074386 136.8
[M]+ 139.09917142 130.5
[M]- 139.10026858 130.5
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