CID 734627

2-(2-methoxy-4-(prop-1-en-1-yl)phenoxy)acetic acid

Structural Information

Molecular Formula
C12H14O4
SMILES
C/C=C/C1=CC(=C(C=C1)OCC(=O)O)OC
InChI
InChI=1S/C12H14O4/c1-3-4-9-5-6-10(11(7-9)15-2)16-8-12(13)14/h3-7H,8H2,1-2H3,(H,13,14)/b4-3+
InChIKey
UORQJKKOBXSGRG-ONEGZZNKSA-N
Compound name
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

222.0892 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.09648 147.2
[M+Na]+ 245.07842 155.0
[M-H]- 221.08192 149.7
[M+NH4]+ 240.12302 165.2
[M+K]+ 261.05236 153.0
[M+H-H2O]+ 205.08646 141.3
[M+HCOO]- 267.08740 169.6
[M+CH3COO]- 281.10305 186.7
[M+Na-2H]- 243.06387 150.9
[M]+ 222.08865 150.8
[M]- 222.08975 150.8
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

No patent data available for this compound.