CID 4141

5-methylfurmethide

Structural Information

Molecular Formula
C9H16NO
SMILES
CC1=CC=C(O1)C[N+](C)(C)C
InChI
InChI=1S/C9H16NO/c1-8-5-6-9(11-8)7-10(2,3)4/h5-6H,7H2,1-4H3/q+1
InChIKey
KOWVJDFMEZKDDT-UHFFFAOYSA-N
Compound name
trimethyl-[(5-methylfuran-2-yl)methyl]azanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

41
References

71
Patents

154.12318 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.13046 130.2
[M+Na]+ 177.11240 138.4
[M-H]- 153.11590 136.5
[M+NH4]+ 172.15700 152.7
[M+K]+ 193.08634 133.8
[M+H-H2O]+ 137.12044 128.3
[M+HCOO]- 199.12138 155.3
[M+CH3COO]- 213.13703 175.8
[M+Na-2H]- 175.09785 140.6
[M]+ 154.12263 132.1
[M]- 154.12373 132.1
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