CID 459930

1-propanol, 2-methoxy-3-(octadecyloxy)-, (2s)-

Structural Information

Molecular Formula
C22H46O3
SMILES
CCCCCCCCCCCCCCCCCCOC[C@H](CO)OC
InChI
InChI=1S/C22H46O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-21-22(20-23)24-2/h22-23H,3-21H2,1-2H3/t22-/m0/s1
InChIKey
JWBOVDKFGDXGCR-QFIPXVFZSA-N
Compound name
(2S)-2-methoxy-3-octadecoxypropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

128
Patents

358.3447 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.35198 201.5
[M+Na]+ 381.33392 201.2
[M-H]- 357.33742 197.2
[M+NH4]+ 376.37852 213.7
[M+K]+ 397.30786 197.8
[M+H-H2O]+ 341.34196 193.7
[M+HCOO]- 403.34290 218.1
[M+CH3COO]- 417.35855 219.0
[M+Na-2H]- 379.31937 198.2
[M]+ 358.34415 210.6
[M]- 358.34525 210.6
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