CID 806441

1216778-27-6

Structural Information

Molecular Formula
C10H13NO3
SMILES
C1CCN(C1)CC2=CC=C(O2)C(=O)O
InChI
InChI=1S/C10H13NO3/c12-10(13)9-4-3-8(14-9)7-11-5-1-2-6-11/h3-4H,1-2,5-7H2,(H,12,13)
InChIKey
XMFACEUEFDPCDJ-UHFFFAOYSA-N
Compound name
5-(pyrrolidin-1-ylmethyl)furan-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
Patents

195.08954 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.09682 142.7
[M+Na]+ 218.07876 151.7
[M+NH4]+ 213.12336 149.8
[M+K]+ 234.05270 151.4
[M-H]- 194.08226 144.6
[M+Na-2H]- 216.06421 146.2
[M]+ 195.08899 144.1
[M]- 195.09009 144.1
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