CID 452644

Cp-0

Structural Information

Molecular Formula
C21H44O3
SMILES
CCCCCCCCCCCCCCCCOCC(CO)OCC
InChI
InChI=1S/C21H44O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-20-21(19-22)24-4-2/h21-22H,3-20H2,1-2H3
InChIKey
XNJPJQWHGJPRGN-UHFFFAOYSA-N
Compound name
2-ethoxy-3-hexadecoxypropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

344.32904 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.33632 197.1
[M+Na]+ 367.31826 197.3
[M-H]- 343.32176 193.0
[M+NH4]+ 362.36286 209.8
[M+K]+ 383.29220 194.1
[M+H-H2O]+ 327.32630 189.6
[M+HCOO]- 389.32724 214.1
[M+CH3COO]- 403.34289 216.0
[M+Na-2H]- 365.30371 194.3
[M]+ 344.32849 205.8
[M]- 344.32959 205.8
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