CID 57507

Furfurylamine, n-ethyl-, hydrochloride

Structural Information

Molecular Formula
C7H11NO
SMILES
CCNCC1=CC=CO1
InChI
InChI=1S/C7H11NO/c1-2-8-6-7-4-3-5-9-7/h3-5,8H,2,6H2,1H3
InChIKey
CBVNYJPAGHUWKC-UHFFFAOYSA-N
Compound name
N-(furan-2-ylmethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

125
Patents

125.08406 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.09134 124.3
[M+Na]+ 148.07328 131.6
[M-H]- 124.07678 128.6
[M+NH4]+ 143.11788 146.7
[M+K]+ 164.04722 131.8
[M+H-H2O]+ 108.08132 118.9
[M+HCOO]- 170.08226 150.5
[M+CH3COO]- 184.09791 172.1
[M+Na-2H]- 146.05873 132.6
[M]+ 125.08351 125.4
[M]- 125.08461 125.4
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