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
11
Annotation Hits

33242
References

859024
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 135.2
[M+Na]+ 215.01623 140.8
[M-H]- 191.01973 130.1
[M+NH4]+ 210.06083 151.3
[M+K]+ 230.99017 140.7
[M+H-H2O]+ 175.02427 131.3
[M+HCOO]- 237.02521 150.6
[M+CH3COO]- 251.04086 172.1
[M+Na-2H]- 213.00168 137.7
[M]+ 192.02646 134.5
[M]- 192.02756 134.5
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