CID 16729503

Chembl242116

Structural Information

Molecular Formula
C8H11NO3
SMILES
C1=COC=C1C(=O)NCCCO
InChI
InChI=1S/C8H11NO3/c10-4-1-3-9-8(11)7-2-5-12-6-7/h2,5-6,10H,1,3-4H2,(H,9,11)
InChIKey
VDECSVBZYGNKLY-UHFFFAOYSA-N
Compound name
N-(3-hydroxypropyl)furan-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

169.0739 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.08118 135.4
[M+Na]+ 192.06312 141.8
[M-H]- 168.06662 138.2
[M+NH4]+ 187.10772 155.1
[M+K]+ 208.03706 141.6
[M+H-H2O]+ 152.07116 129.7
[M+HCOO]- 214.07210 159.4
[M+CH3COO]- 228.08775 175.9
[M+Na-2H]- 190.04857 141.4
[M]+ 169.07335 136.4
[M]- 169.07445 136.4
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

No patent data available for this compound.