CID 4099572

5-formyl-2-methoxyphenyl acetate

Structural Information

Molecular Formula
C10H10O4
SMILES
CC(=O)OC1=C(C=CC(=C1)C=O)OC
InChI
InChI=1S/C10H10O4/c1-7(12)14-10-5-8(6-11)3-4-9(10)13-2/h3-6H,1-2H3
InChIKey
ZVPGTXJXZIXWGR-UHFFFAOYSA-N
Compound name
(5-formyl-2-methoxyphenyl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

194.0579 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.065176 136.9
[M+Na]+ 217.047118 146.0
[M-H]- 193.050624 141.3
[M+NH4]+ 212.091723 156.8
[M+K]+ 233.021058 145.4
[M+H-H2O]+ 177.055160 131.2
[M+HCOO]- 239.056101 161.5
[M+CH3COO]- 253.071751 183.2
[M+Na-2H]- 215.032566 142.2
[M]+ 194.05735142 141.7
[M]- 194.05844858 141.7
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