CID 47948

5-hmft

Structural Information

Molecular Formula
C9H16NO2
SMILES
C[N+](C)(C)CC1=CC=C(O1)CO
InChI
InChI=1S/C9H16NO2/c1-10(2,3)6-8-4-5-9(7-11)12-8/h4-5,11H,6-7H2,1-3H3/q+1
InChIKey
AVULIABKIDWATN-UHFFFAOYSA-N
Compound name
[5-(hydroxymethyl)furan-2-yl]methyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

170.1181 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.12538 134.2
[M+Na]+ 193.10732 141.9
[M-H]- 169.11082 139.1
[M+NH4]+ 188.15192 155.2
[M+K]+ 209.08126 136.7
[M+H-H2O]+ 153.11536 132.3
[M+HCOO]- 215.11630 158.0
[M+CH3COO]- 229.13195 174.9
[M+Na-2H]- 191.09277 144.2
[M]+ 170.11755 135.6
[M]- 170.11865 135.6
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