CID 9862975

Isostearyl glyceryl ether

Structural Information

Molecular Formula
C21H44O3
SMILES
CC(C)CCCCCCCCCCCCCCCOCC(CO)O
InChI
InChI=1S/C21H44O3/c1-20(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-24-19-21(23)18-22/h20-23H,3-19H2,1-2H3
InChIKey
JAUFWPNLLLUYNV-UHFFFAOYSA-N
Compound name
3-(16-methylheptadecoxy)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

3406
Patents

344.32904 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.33632 198.2
[M+Na]+ 367.31826 197.7
[M-H]- 343.32176 192.8
[M+NH4]+ 362.36286 210.1
[M+K]+ 383.29220 194.2
[M+H-H2O]+ 327.32630 191.0
[M+HCOO]- 389.32724 212.6
[M+CH3COO]- 403.34289 214.2
[M+Na-2H]- 365.30371 193.6
[M]+ 344.32849 204.3
[M]- 344.32959 204.3
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