CID 16768211

317830-20-9

Structural Information

Molecular Formula
C8H13NO
SMILES
CC1=CC(=C(O1)C)C(C)N
InChI
InChI=1S/C8H13NO/c1-5-4-8(6(2)9)7(3)10-5/h4,6H,9H2,1-3H3
InChIKey
MTHKKBLSINVYHP-UHFFFAOYSA-N
Compound name
1-(2,5-dimethylfuran-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

139.09972 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.106996 129.6
[M+Na]+ 162.088938 138.2
[M-H]- 138.092444 134.2
[M+NH4]+ 157.133543 151.9
[M+K]+ 178.062878 138.1
[M+H-H2O]+ 122.096980 124.8
[M+HCOO]- 184.097921 153.9
[M+CH3COO]- 198.113571 177.6
[M+Na-2H]- 160.074386 133.7
[M]+ 139.09917142 130.2
[M]- 139.10026858 130.2
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