CID 348580

2-(4-propylphenoxy)acetic acid

Structural Information

Molecular Formula
C11H14O3
SMILES
CCCC1=CC=C(C=C1)OCC(=O)O
InChI
InChI=1S/C11H14O3/c1-2-3-9-4-6-10(7-5-9)14-8-11(12)13/h4-7H,2-3,8H2,1H3,(H,12,13)
InChIKey
LSYVSKGBAOTYNT-UHFFFAOYSA-N
Compound name
2-(4-propylphenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

25
Patents

194.0943 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.101576 141.7
[M+Na]+ 217.083518 148.7
[M-H]- 193.087024 144.0
[M+NH4]+ 212.128123 160.6
[M+K]+ 233.057458 146.9
[M+H-H2O]+ 177.091560 135.9
[M+HCOO]- 239.092501 164.0
[M+CH3COO]- 253.108151 181.9
[M+Na-2H]- 215.068966 146.5
[M]+ 194.09375142 143.9
[M]- 194.09484858 143.9
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