CID 14933778

30796-85-1

Structural Information

Molecular Formula
C7H11NO
SMILES
CC1=CC=C(O1)CCN
InChI
InChI=1S/C7H11NO/c1-6-2-3-7(9-6)4-5-8/h2-3H,4-5,8H2,1H3
InChIKey
KOFWQYALAZVVGL-UHFFFAOYSA-N
Compound name
2-(5-methylfuran-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

125.08406 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.091336 124.5
[M+Na]+ 148.073278 132.7
[M-H]- 124.076784 128.6
[M+NH4]+ 143.117883 147.0
[M+K]+ 164.047218 132.5
[M+H-H2O]+ 108.081320 119.4
[M+HCOO]- 170.082261 150.1
[M+CH3COO]- 184.097911 172.5
[M+Na-2H]- 146.058726 131.0
[M]+ 125.08351142 125.0
[M]- 125.08460858 125.0
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