CID 5289501

Ttnpb

Structural Information

Molecular Formula
C24H28O2
SMILES
C/C(=C\C1=CC=C(C=C1)C(=O)O)/C2=CC3=C(C=C2)C(CCC3(C)C)(C)C
InChI
InChI=1S/C24H28O2/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-20-21(15-19)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,25,26)/b16-14+
InChIKey
FOIVPCKZDPCJJY-JQIJEIRASA-N
Compound name
4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

201
References

4816
Patents

348.20892 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.21620 185.3
[M+Na]+ 371.19814 192.2
[M-H]- 347.20164 191.3
[M+NH4]+ 366.24274 203.0
[M+K]+ 387.17208 186.8
[M+H-H2O]+ 331.20618 178.2
[M+HCOO]- 393.20712 200.4
[M+CH3COO]- 407.22277 215.2
[M+Na-2H]- 369.18359 185.9
[M]+ 348.20837 184.3
[M]- 348.20947 184.3
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

No patent data available for this compound.