CID 9885734

Octyldodecyl lactate

Structural Information

Molecular Formula
C23H46O3
SMILES
CCCCCCCCCCC(CCCCCCCC)COC(=O)C(C)O
InChI
InChI=1S/C23H46O3/c1-4-6-8-10-12-13-15-17-19-22(20-26-23(25)21(3)24)18-16-14-11-9-7-5-2/h21-22,24H,4-20H2,1-3H3
InChIKey
ZIIVEKCKOPDBLT-UHFFFAOYSA-N
Compound name
2-octyldodecyl 2-hydroxypropanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2313
Patents

370.3447 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.35198 206.1
[M+Na]+ 393.33392 205.5
[M-H]- 369.33742 201.9
[M+NH4]+ 388.37852 217.7
[M+K]+ 409.30786 202.2
[M+H-H2O]+ 353.34196 198.6
[M+HCOO]- 415.34290 220.7
[M+CH3COO]- 429.35855 222.0
[M+Na-2H]- 391.31937 199.8
[M]+ 370.34415 213.5
[M]- 370.34525 213.5
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