CID 6452229

50649-59-7

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

56
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 168.3
[M+Na]+ 305.15122 174.6
[M-H]- 281.15472 174.6
[M+NH4]+ 300.19582 184.2
[M+K]+ 321.12516 170.6
[M+H-H2O]+ 265.15926 160.3
[M+HCOO]- 327.16020 190.6
[M+CH3COO]- 341.17585 202.7
[M+Na-2H]- 303.13667 171.0
[M]+ 282.16145 171.3
[M]- 282.16255 171.3
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