CID 23591677

Schembl14501878

Structural Information

Molecular Formula
C24H40O3
SMILES
CCCCCCCCCCCCCC(=O)OC(C)COCC1=CC=CC=C1
InChI
InChI=1S/C24H40O3/c1-3-4-5-6-7-8-9-10-11-12-16-19-24(25)27-22(2)20-26-21-23-17-14-13-15-18-23/h13-15,17-18,22H,3-12,16,19-21H2,1-2H3
InChIKey
PAKHGVAWFZLJHC-UHFFFAOYSA-N
Compound name
1-phenylmethoxypropan-2-yl tetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

322
Patents

376.29776 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.305036 202.6
[M+Na]+ 399.286978 203.2
[M-H]- 375.290484 203.3
[M+NH4]+ 394.331583 214.3
[M+K]+ 415.260918 199.5
[M+H-H2O]+ 359.295020 193.7
[M+HCOO]- 421.295961 220.9
[M+CH3COO]- 435.311611 222.2
[M+Na-2H]- 397.272426 200.1
[M]+ 376.29721142 210.2
[M]- 376.29830858 210.2
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

No patent data available for this compound.