CID 179114

3-(furan-2-yl)propan-1-amine

Structural Information

Molecular Formula
C7H11NO
SMILES
C1=COC(=C1)CCCN
InChI
InChI=1S/C7H11NO/c8-5-1-3-7-4-2-6-9-7/h2,4,6H,1,3,5,8H2
InChIKey
BMBNEIGPGNXTRH-UHFFFAOYSA-N
Compound name
3-(furan-2-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

78
Patents

125.08406 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.091336 124.7
[M+Na]+ 148.073278 132.0
[M-H]- 124.076784 128.4
[M+NH4]+ 143.117883 146.8
[M+K]+ 164.047218 131.8
[M+H-H2O]+ 108.081320 119.3
[M+HCOO]- 170.082261 150.3
[M+CH3COO]- 184.097911 171.4
[M+Na-2H]- 146.058726 131.9
[M]+ 125.08351142 124.8
[M]- 125.08460858 124.8
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