CID 101590287

Arachidyl glycol isostearate

Structural Information

Molecular Formula
C38H76O3
SMILES
CCCCCCCCCCCCCCCCCCC(COC(=O)CCCCCCCCCCCCCCC(C)C)O
InChI
InChI=1S/C38H76O3/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24-27-30-33-37(39)35-41-38(40)34-31-28-25-22-19-16-15-17-20-23-26-29-32-36(2)3/h36-37,39H,4-35H2,1-3H3
InChIKey
GTNXXMDEMZHRBD-UHFFFAOYSA-N
Compound name
2-hydroxyicosyl 16-methylheptadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

31
Patents

580.57947 Da
Monoisotopic Mass

17.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 581.58675 261.1
[M+Na]+ 603.56869 265.6
[M-H]- 579.57219 244.0
[M+NH4]+ 598.61329 261.1
[M+K]+ 619.54263 268.7
[M+H-H2O]+ 563.57673 260.5
[M+HCOO]- 625.57767 261.1
[M+CH3COO]- 639.59332 264.6
[M+Na-2H]- 601.55414 244.0
[M]+ 580.57892 260.5
[M]- 580.58002 260.5
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