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

5
Patents

139.09972 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.10700 129.6
[M+Na]+ 162.08894 138.2
[M-H]- 138.09244 134.2
[M+NH4]+ 157.13354 151.9
[M+K]+ 178.06288 138.1
[M+H-H2O]+ 122.09698 124.8
[M+HCOO]- 184.09792 153.9
[M+CH3COO]- 198.11357 177.6
[M+Na-2H]- 160.07439 133.7
[M]+ 139.09917 130.2
[M]- 139.10027 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