CID 132132328

2152661-10-2

Structural Information

Molecular Formula
C11H12O4
SMILES
CCOC(=O)C1=C(C(=C(C=C1)C=O)O)C
InChI
InChI=1S/C11H12O4/c1-3-15-11(14)9-5-4-8(6-12)10(13)7(9)2/h4-6,13H,3H2,1-2H3
InChIKey
GBHFUSANEMGGGE-UHFFFAOYSA-N
Compound name
ethyl 4-formyl-3-hydroxy-2-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

208.07356 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.080836 141.6
[M+Na]+ 231.062778 150.7
[M-H]- 207.066284 144.7
[M+NH4]+ 226.107383 160.4
[M+K]+ 247.036718 149.0
[M+H-H2O]+ 191.070820 136.2
[M+HCOO]- 253.071761 164.3
[M+CH3COO]- 267.087411 184.9
[M+Na-2H]- 229.048226 145.1
[M]+ 208.07301142 145.2
[M]- 208.07410858 145.2
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