CID 6850770

1-(tetradecanoyloxy)propan-2-yl pentadecanoate

Structural Information

Molecular Formula
C32H62O4
SMILES
CCCCCCCCCCCCCCC(=O)OC(C)COC(=O)CCCCCCCCCCCCC
InChI
InChI=1S/C32H62O4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-32(34)36-30(3)29-35-31(33)27-25-23-21-19-17-15-13-11-9-7-5-2/h30H,4-29H2,1-3H3
InChIKey
CCXUFFTYEJRDBY-UHFFFAOYSA-N
Compound name
1-tetradecanoyloxypropan-2-yl pentadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

379
Patents

510.4648 Da
Monoisotopic Mass

13.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.47208 241.0
[M+Na]+ 533.45402 247.8
[M-H]- 509.45752 228.1
[M+NH4]+ 528.49862 244.6
[M+K]+ 549.42796 247.7
[M+H-H2O]+ 493.46206 242.6
[M+HCOO]- 555.46300 246.0
[M+CH3COO]- 569.47865 250.7
[M+Na-2H]- 531.43947 227.5
[M]+ 510.46425 242.0
[M]- 510.46535 242.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe