CID 43153221

3-[(dimethylamino)methyl]furan-2-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C8H11NO3
SMILES
CN(C)CC1=C(OC=C1)C(=O)O
InChI
InChI=1S/C8H11NO3/c1-9(2)5-6-3-4-12-7(6)8(10)11/h3-4H,5H2,1-2H3,(H,10,11)
InChIKey
LXEPMTZSEVPMHR-UHFFFAOYSA-N
Compound name
3-[(dimethylamino)methyl]furan-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

169.0739 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.081176 134.9
[M+Na]+ 192.063118 142.3
[M-H]- 168.066624 139.6
[M+NH4]+ 187.107723 155.5
[M+K]+ 208.037058 143.5
[M+H-H2O]+ 152.071160 129.4
[M+HCOO]- 214.072101 159.4
[M+CH3COO]- 228.087751 181.3
[M+Na-2H]- 190.048566 139.4
[M]+ 169.07335142 137.6
[M]- 169.07444858 137.6
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