CID 168724

2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid m-benzylbenzyl ester

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]+ 349.21620 181.9
[M+Na]+ 371.19814 189.5
[M-H]- 347.20164 191.9
[M+NH4]+ 366.24274 192.5
[M+K]+ 387.17208 185.1
[M+H-H2O]+ 331.20618 174.3
[M+HCOO]- 393.20712 202.2
[M+CH3COO]- 407.22277 217.9
[M+Na-2H]- 369.18359 182.1
[M]+ 348.20837 187.1
[M]- 348.20947 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