CID 6452229

4-pentylphenyl 4-methylbenzoate

Structural Information

Molecular Formula
C19H22O2
SMILES
CCCCCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C
InChI
InChI=1S/C19H22O2/c1-3-4-5-6-16-9-13-18(14-10-16)21-19(20)17-11-7-15(2)8-12-17/h7-14H,3-6H2,1-2H3
InChIKey
OFNFLSYTTLXGBM-UHFFFAOYSA-N
Compound name
(4-pentylphenyl) 4-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

282.162 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.16928 168.7
[M+Na]+ 305.15122 183.3
[M+NH4]+ 300.19582 177.1
[M+K]+ 321.12516 174.4
[M-H]- 281.15472 173.4
[M+Na-2H]- 303.13667 177.4
[M]+ 282.16145 172.3
[M]- 282.16255 172.3
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

patents stripe