CID 55759

N-propylfurfurylamine hydrochloride

Structural Information

Molecular Formula
C8H13NO
SMILES
CCCNCC1=CC=CO1
InChI
InChI=1S/C8H13NO/c1-2-5-9-7-8-4-3-6-10-8/h3-4,6,9H,2,5,7H2,1H3
InChIKey
LPPWAQZJYMWSHG-UHFFFAOYSA-N
Compound name
N-(furan-2-ylmethyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

139.09972 Da
Monoisotopic Mass

1.3
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

No literature data available for this compound.

Patent stripe

patents stripe