CID 16777778

(2-tert-butyl-4-methoxyphenoxy)acetic acid

Structural Information

Molecular Formula
C13H18O4
SMILES
CC(C)(C)C1=C(C=CC(=C1)OC)OCC(=O)O
InChI
InChI=1S/C13H18O4/c1-13(2,3)10-7-9(16-4)5-6-11(10)17-8-12(14)15/h5-7H,8H2,1-4H3,(H,14,15)
InChIKey
DDRMPUFADHMKLR-UHFFFAOYSA-N
Compound name
2-(2-tert-butyl-4-methoxyphenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

238.12051 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.12779 152.9
[M+Na]+ 261.10973 160.3
[M-H]- 237.11323 155.5
[M+NH4]+ 256.15433 170.4
[M+K]+ 277.08367 159.2
[M+H-H2O]+ 221.11777 147.4
[M+HCOO]- 283.11871 173.2
[M+CH3COO]- 297.13436 190.9
[M+Na-2H]- 259.09518 156.8
[M]+ 238.11996 157.1
[M]- 238.12106 157.1
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