CID 72

3,4-dihydroxybenzoic acid

Structural Information

Molecular Formula
C7H6O4
SMILES
C1=CC(=C(C=C1C(=O)O)O)O
InChI
InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)
InChIKey
YQUVCSBJEUQKSH-UHFFFAOYSA-N
Compound name
3,4-dihydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

1672
References

37699
Patents

154.02661 Da
Monoisotopic Mass

1.1
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.