CID 4996089

2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetic acid

Structural Information

Molecular Formula
C9H12N2O4
SMILES
C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)O
InChI
InChI=1S/C9H12N2O4/c12-6(13)5-11-7(14)9(10-8(11)15)3-1-2-4-9/h1-5H2,(H,10,15)(H,12,13)
InChIKey
WPJKWNMXALXUTR-UHFFFAOYSA-N
Compound name
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

212.07971 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.08699 145.8
[M+Na]+ 235.06893 153.0
[M-H]- 211.07243 146.3
[M+NH4]+ 230.11353 166.0
[M+K]+ 251.04287 150.6
[M+H-H2O]+ 195.07697 140.4
[M+HCOO]- 257.07791 162.3
[M+CH3COO]- 271.09356 178.0
[M+Na-2H]- 233.05438 146.1
[M]+ 212.07916 141.2
[M]- 212.08026 141.2
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