CID 2098038

1454804-54-6

Structural Information

Molecular Formula
C14H18O4
SMILES
CC(C)COC1=C(C=C(C=C1)/C=C/C(=O)O)OC
InChI
InChI=1S/C14H18O4/c1-10(2)9-18-12-6-4-11(5-7-14(15)16)8-13(12)17-3/h4-8,10H,9H2,1-3H3,(H,15,16)/b7-5+
InChIKey
MZXJPLQWXLYEGR-FNORWQNLSA-N
Compound name
(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

250.12051 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.12779 157.4
[M+Na]+ 273.10973 168.1
[M+NH4]+ 268.15433 163.4
[M+K]+ 289.08367 163.2
[M-H]- 249.11323 157.3
[M+Na-2H]- 271.09518 161.1
[M]+ 250.11996 158.6
[M]- 250.12106 158.6
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

patents stripe