CID 10236

Ninhydrin

Structural Information

Molecular Formula
C9H6O4
SMILES
C1=CC=C2C(=C1)C(=O)C(C2=O)(O)O
InChI
InChI=1S/C9H6O4/c10-7-5-3-1-2-4-6(5)8(11)9(7,12)13/h1-4,12-13H
InChIKey
FEMOMIGRRWSMCU-UHFFFAOYSA-N
Compound name
2,2-dihydroxyindene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

1102
References

86979
Patents

178.02661 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.033886 131.2
[M+Na]+ 201.015828 142.3
[M-H]- 177.019334 134.4
[M+NH4]+ 196.060433 155.3
[M+K]+ 216.989768 139.1
[M+H-H2O]+ 161.023870 127.9
[M+HCOO]- 223.024811 153.2
[M+CH3COO]- 237.040461 173.5
[M+Na-2H]- 199.001276 137.8
[M]+ 178.02606142 131.5
[M]- 178.02715858 131.5
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