CID 95084

4-oxopimelic acid

Structural Information

Molecular Formula
C7H10O5
SMILES
C(CC(=O)O)C(=O)CCC(=O)O
InChI
InChI=1S/C7H10O5/c8-5(1-3-6(9)10)2-4-7(11)12/h1-4H2,(H,9,10)(H,11,12)
InChIKey
UDDSEESQRGPVIL-UHFFFAOYSA-N
Compound name
4-oxoheptanedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

586
Patents

174.05283 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.060106 135.0
[M+Na]+ 197.042048 141.0
[M-H]- 173.045554 132.4
[M+NH4]+ 192.086653 153.4
[M+K]+ 213.015988 140.7
[M+H-H2O]+ 157.050090 130.4
[M+HCOO]- 219.051031 154.3
[M+CH3COO]- 233.066681 175.0
[M+Na-2H]- 195.027496 136.9
[M]+ 174.05228142 136.1
[M]- 174.05337858 136.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe