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
4
Annotation Hits

201
References

5219
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

literature stripe

Patent stripe

patents stripe