CID 1284361

2-[2-(propan-2-yl)phenoxy]acetic acid

Structural Information

Molecular Formula
C11H14O3
SMILES
CC(C)C1=CC=CC=C1OCC(=O)O
InChI
InChI=1S/C11H14O3/c1-8(2)9-5-3-4-6-10(9)14-7-11(12)13/h3-6,8H,7H2,1-2H3,(H,12,13)
InChIKey
HGGPCQVBKJMWHG-UHFFFAOYSA-N
Compound name
2-(2-propan-2-ylphenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

52
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 141.8
[M+Na]+ 217.083518 148.5
[M-H]- 193.087024 144.1
[M+NH4]+ 212.128123 160.6
[M+K]+ 233.057458 147.2
[M+H-H2O]+ 177.091560 136.1
[M+HCOO]- 239.092501 163.1
[M+CH3COO]- 253.108151 182.8
[M+Na-2H]- 215.068966 145.3
[M]+ 194.09375142 143.3
[M]- 194.09484858 143.3
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