CID 789964

Cyclopentanecarboxylic acid, 3-(((2-furanylmethyl)amino)carbonyl)-1,2,2-trimethyl-, monosodium salt, (1r-cis)-

Structural Information

Molecular Formula
C15H21NO4
SMILES
C[C@]1(CC[C@@H](C1(C)C)C(=O)NCC2=CC=CO2)C(=O)O
InChI
InChI=1S/C15H21NO4/c1-14(2)11(6-7-15(14,3)13(18)19)12(17)16-9-10-5-4-8-20-10/h4-5,8,11H,6-7,9H2,1-3H3,(H,16,17)(H,18,19)/t11-,15+/m1/s1
InChIKey
YRYGJOFRZIYGQS-ABAIWWIYSA-N
Compound name
(1R,3S)-3-(furan-2-ylmethylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.14706 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.15434 163.7
[M+Na]+ 302.13628 170.4
[M+NH4]+ 297.18088 172.1
[M+K]+ 318.11022 167.3
[M-H]- 278.13978 165.5
[M+Na-2H]- 300.12173 168.5
[M]+ 279.14651 165.0
[M]- 279.14761 165.0
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.