CID 12920834

3-(5-methylfuran-2-yl)propan-1-amine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

139.09972 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.106996 129.2
[M+Na]+ 162.088938 137.0
[M-H]- 138.092444 133.2
[M+NH4]+ 157.133543 151.1
[M+K]+ 178.062878 136.6
[M+H-H2O]+ 122.096980 123.9
[M+HCOO]- 184.097921 154.5
[M+CH3COO]- 198.113571 175.6
[M+Na-2H]- 160.074386 135.2
[M]+ 139.09917142 130.1
[M]- 139.10026858 130.1
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