CID 131802341

Dg(a-15:0/14:0/0:0)

Structural Information

Molecular Formula
C32H62O5
SMILES
CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCC(C)CC
InChI
InChI=1S/C32H62O5/c1-4-6-7-8-9-10-11-12-17-20-23-26-32(35)37-30(27-33)28-36-31(34)25-22-19-16-14-13-15-18-21-24-29(3)5-2/h29-30,33H,4-28H2,1-3H3/t29?,30-/m0/s1
InChIKey
XNAUCGMJTASQPD-ZSXSBBPPSA-N
Compound name
[(2S)-3-hydroxy-2-tetradecanoyloxypropyl] 12-methyltetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

526.4597 Da
Monoisotopic Mass

12.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.46698 242.1
[M+Na]+ 549.44892 247.8
[M-H]- 525.45242 231.0
[M+NH4]+ 544.49352 245.8
[M+K]+ 565.42286 248.3
[M+H-H2O]+ 509.45696 243.3
[M+HCOO]- 571.45790 243.1
[M+CH3COO]- 585.47355 250.7
[M+Na-2H]- 547.43437 228.1
[M]+ 526.45915 242.0
[M]- 526.46025 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

No patent data available for this compound.