CID 56842385

Methyl 3-chloro-2,5-dimethyl-6-hydroxy-p-anisate

Structural Information

Molecular Formula
C11H13ClO4
SMILES
CC1=C(C(=C(C(=C1Cl)OC)C)O)C(=O)OC
InChI
InChI=1S/C11H13ClO4/c1-5-7(11(14)16-4)9(13)6(2)10(15-3)8(5)12/h13H,1-4H3
InChIKey
ALHKAHMAUJFZGF-UHFFFAOYSA-N
Compound name
methyl 5-chloro-2-hydroxy-4-methoxy-3,6-dimethylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.05023 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.05751 146.3
[M+Na]+ 267.03945 157.8
[M-H]- 243.04295 150.1
[M+NH4]+ 262.08405 165.4
[M+K]+ 283.01339 154.9
[M+H-H2O]+ 227.04749 142.5
[M+HCOO]- 289.04843 164.4
[M+CH3COO]- 303.06408 192.1
[M+Na-2H]- 265.02490 148.3
[M]+ 244.04968 153.6
[M]- 244.05078 153.6
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.