CID 3024984

3-(3-hydroxypropoxy)propyl laurate

Structural Information

Molecular Formula
C18H36O4
SMILES
CCCCCCCCCCCC(=O)OCCCOCCCO
InChI
InChI=1S/C18H36O4/c1-2-3-4-5-6-7-8-9-10-13-18(20)22-17-12-16-21-15-11-14-19/h19H,2-17H2,1H3
InChIKey
CGGKBZSXQOLUNV-UHFFFAOYSA-N
Compound name
3-(3-hydroxypropoxy)propyl dodecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.26135 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.268626 184.8
[M+Na]+ 339.250568 186.6
[M-H]- 315.254074 181.4
[M+NH4]+ 334.295173 198.7
[M+K]+ 355.224508 184.2
[M+H-H2O]+ 299.258610 177.8
[M+HCOO]- 361.259551 203.3
[M+CH3COO]- 375.275201 207.6
[M+Na-2H]- 337.236016 183.8
[M]+ 316.26080142 193.2
[M]- 316.26189858 193.2
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

No patent data available for this compound.