CID 168724

27751-16-2

Structural Information

Molecular Formula
C24H28O2
SMILES
CC(=CC1C(C1(C)C)C(=O)OCC2=CC=CC(=C2)CC3=CC=CC=C3)C
InChI
InChI=1S/C24H28O2/c1-17(2)13-21-22(24(21,3)4)23(25)26-16-20-12-8-11-19(15-20)14-18-9-6-5-7-10-18/h5-13,15,21-22H,14,16H2,1-4H3
InChIKey
MTGNXZUVWYYHBB-UHFFFAOYSA-N
Compound name
(3-benzylphenyl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

348.20892 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.216196 181.9
[M+Na]+ 371.198138 189.5
[M-H]- 347.201644 191.9
[M+NH4]+ 366.242743 192.5
[M+K]+ 387.172078 185.1
[M+H-H2O]+ 331.206180 174.3
[M+HCOO]- 393.207121 202.2
[M+CH3COO]- 407.222771 217.9
[M+Na-2H]- 369.183586 182.1
[M]+ 348.20837142 187.1
[M]- 348.20946858 187.1
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