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

10
Patents

170.1181 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.125376 134.2
[M+Na]+ 193.107318 141.9
[M-H]- 169.110824 139.1
[M+NH4]+ 188.151923 155.2
[M+K]+ 209.081258 136.7
[M+H-H2O]+ 153.115360 132.3
[M+HCOO]- 215.116301 158.0
[M+CH3COO]- 229.131951 174.9
[M+Na-2H]- 191.092766 144.2
[M]+ 170.11755142 135.6
[M]- 170.11864858 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