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

28
Patents

139.09972 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.10700 129.1
[M+Na]+ 162.08894 135.9
[M-H]- 138.09244 133.1
[M+NH4]+ 157.13354 150.9
[M+K]+ 178.06288 135.8
[M+H-H2O]+ 122.09698 123.5
[M+HCOO]- 184.09792 154.9
[M+CH3COO]- 198.11357 175.2
[M+Na-2H]- 160.07439 136.8
[M]+ 139.09917 130.5
[M]- 139.10027 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