CID 11009185

Methyl 2,4-dihydroxy-6-propylbenzoate

Structural Information

Molecular Formula
C11H14O4
SMILES
CCCC1=C(C(=CC(=C1)O)O)C(=O)OC
InChI
InChI=1S/C11H14O4/c1-3-4-7-5-8(12)6-9(13)10(7)11(14)15-2/h5-6,12-13H,3-4H2,1-2H3
InChIKey
AREDPURTHQTRTK-UHFFFAOYSA-N
Compound name
methyl 2,4-dihydroxy-6-propylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

28
Patents

210.0892 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.09648 145.2
[M+Na]+ 233.07842 156.7
[M+NH4]+ 228.12302 151.7
[M+K]+ 249.05236 152.2
[M-H]- 209.08192 145.2
[M+Na-2H]- 231.06387 149.3
[M]+ 210.08865 146.6
[M]- 210.08975 146.6
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