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

10
Patents

376.29776 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.30504 202.6
[M+Na]+ 399.28698 203.2
[M-H]- 375.29048 203.3
[M+NH4]+ 394.33158 214.3
[M+K]+ 415.26092 199.5
[M+H-H2O]+ 359.29502 193.7
[M+HCOO]- 421.29596 220.9
[M+CH3COO]- 435.31161 222.2
[M+Na-2H]- 397.27243 200.1
[M]+ 376.29721 210.2
[M]- 376.29831 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

patents stripe