CID 578493

Methyl 4-propoxybenzoate

Structural Information

Molecular Formula
C11H14O3
SMILES
CCCOC1=CC=C(C=C1)C(=O)OC
InChI
InChI=1S/C11H14O3/c1-3-8-14-10-6-4-9(5-7-10)11(12)13-2/h4-7H,3,8H2,1-2H3
InChIKey
OXOTVVQIIASDNF-UHFFFAOYSA-N
Compound name
methyl 4-propoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

194.0943 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.101576 141.2
[M+Na]+ 217.083518 148.7
[M-H]- 193.087024 145.0
[M+NH4]+ 212.128123 160.9
[M+K]+ 233.057458 147.9
[M+H-H2O]+ 177.091560 135.2
[M+HCOO]- 239.092501 165.1
[M+CH3COO]- 253.108151 183.8
[M+Na-2H]- 215.068966 146.5
[M]+ 194.09375142 145.2
[M]- 194.09484858 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