CID 9338

2,6-dihydroxybenzoic acid

Structural Information

Molecular Formula
C7H6O4
SMILES
C1=CC(=C(C(=C1)O)C(=O)O)O
InChI
InChI=1S/C7H6O4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,8-9H,(H,10,11)
InChIKey
AKEUNCKRJATALU-UHFFFAOYSA-N
Compound name
2,6-dihydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

54
References

8452
Patents

154.02661 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.03389 126.8
[M+Na]+ 177.01583 135.5
[M-H]- 153.01933 127.3
[M+NH4]+ 172.06043 146.0
[M+K]+ 192.98977 133.4
[M+H-H2O]+ 137.02387 122.2
[M+HCOO]- 199.02481 147.6
[M+CH3COO]- 213.04046 168.1
[M+Na-2H]- 175.00128 132.0
[M]+ 154.02606 125.6
[M]- 154.02716 125.6
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