CID 311

Citric acid

Structural Information

Molecular Formula
C6H8O7
SMILES
C(C(=O)O)C(CC(=O)O)(C(=O)O)O
InChI
InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKey
KRKNYBCHXYNGOX-UHFFFAOYSA-N
Compound name
2-hydroxypropane-1,2,3-tricarboxylic acid
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

33180
References

905879
Patents

192.02701 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.03429 137.1
[M+Na]+ 215.01623 141.8
[M+NH4]+ 210.06083 139.4
[M+K]+ 230.99017 143.5
[M-H]- 191.01973 129.7
[M+Na-2H]- 213.00168 135.0
[M]+ 192.02646 134.8
[M]- 192.02756 134.8
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