CID 37794

Alpha-resorcylic acid, butyl ester, hemihydrate

Structural Information

Molecular Formula
C11H14O4
SMILES
CCCCOC(=O)C1=CC(=CC(=C1)O)O
InChI
InChI=1S/C11H14O4/c1-2-3-4-15-11(14)8-5-9(12)7-10(13)6-8/h5-7,12-13H,2-4H2,1H3
InChIKey
BRKTYNAUVOACDD-UHFFFAOYSA-N
Compound name
butyl 3,5-dihydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

210.0892 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.09648 145.6
[M+Na]+ 233.07842 156.6
[M+NH4]+ 228.12302 152.0
[M+K]+ 249.05236 151.9
[M-H]- 209.08192 145.4
[M+Na-2H]- 231.06387 149.8
[M]+ 210.08865 146.8
[M]- 210.08975 146.8
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

patents stripe