CID 23383580

1152879-05-4

Structural Information

Molecular Formula
C7H11NO
SMILES
CCNCC1=COC=C1
InChI
InChI=1S/C7H11NO/c1-2-8-5-7-3-4-9-6-7/h3-4,6,8H,2,5H2,1H3
InChIKey
IDSQNSWWKTUGEP-UHFFFAOYSA-N
Compound name
N-(furan-3-ylmethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

125.08406 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.091336 124.3
[M+Na]+ 148.073278 131.6
[M-H]- 124.076784 128.6
[M+NH4]+ 143.117883 146.7
[M+K]+ 164.047218 131.8
[M+H-H2O]+ 108.081320 118.9
[M+HCOO]- 170.082261 150.5
[M+CH3COO]- 184.097911 172.1
[M+Na-2H]- 146.058726 132.6
[M]+ 125.08351142 125.4
[M]- 125.08460858 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

No literature data available for this compound.

Patent stripe

patents stripe