CID 3964808

1-(5-methylfuran-2-yl)ethan-1-amine

Structural Information

Molecular Formula
C7H11NO
SMILES
CC1=CC=C(O1)C(C)N
InChI
InChI=1S/C7H11NO/c1-5-3-4-7(9-5)6(2)8/h3-4,6H,8H2,1-2H3
InChIKey
XEWUTPKFVOPDCL-UHFFFAOYSA-N
Compound name
1-(5-methylfuran-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

135
Patents

125.08406 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.09134 125.4
[M+Na]+ 148.07328 133.4
[M-H]- 124.07678 129.7
[M+NH4]+ 143.11788 147.8
[M+K]+ 164.04722 133.6
[M+H-H2O]+ 108.08132 120.4
[M+HCOO]- 170.08226 150.0
[M+CH3COO]- 184.09791 173.4
[M+Na-2H]- 146.05873 130.6
[M]+ 125.08351 125.2
[M]- 125.08461 125.2
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