CID 53416195

Meobzo5chp

Structural Information

Molecular Formula
C25H32O3
SMILES
CCCCCC1CCC(CC1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C25H32O3/c1-3-4-5-6-19-7-9-20(10-8-19)21-11-17-24(18-12-21)28-25(26)22-13-15-23(27-2)16-14-22/h11-20H,3-10H2,1-2H3
InChIKey
KBNWUQACYFOFBC-UHFFFAOYSA-N
Compound name
[4-(4-pentylcyclohexyl)phenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

380.23514 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.24242 196.4
[M+Na]+ 403.22436 198.8
[M-H]- 379.22786 204.2
[M+NH4]+ 398.26896 207.4
[M+K]+ 419.19830 194.2
[M+H-H2O]+ 363.23240 186.1
[M+HCOO]- 425.23334 213.7
[M+CH3COO]- 439.24899 220.7
[M+Na-2H]- 401.20981 194.5
[M]+ 380.23459 196.1
[M]- 380.23569 196.1
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