CID 6448192

2-((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methylene)butanoic acid

Structural Information

Molecular Formula
C19H28O3
SMILES
CC/C(=C\C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)/C(=O)O
InChI
InChI=1S/C19H28O3/c1-8-13(17(21)22)9-12-10-14(18(2,3)4)16(20)15(11-12)19(5,6)7/h9-11,20H,8H2,1-7H3,(H,21,22)/b13-9+
InChIKey
DIZAPZDIMTYXQE-UKTHLTGXSA-N
Compound name
(2E)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

304.20386 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.21114 173.0
[M+Na]+ 327.19308 179.1
[M-H]- 303.19658 174.1
[M+NH4]+ 322.23768 187.7
[M+K]+ 343.16702 175.9
[M+H-H2O]+ 287.20112 168.4
[M+HCOO]- 349.20206 187.3
[M+CH3COO]- 363.21771 204.9
[M+Na-2H]- 325.17853 172.8
[M]+ 304.20331 174.6
[M]- 304.20441 174.6
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