CID 66058

2-butoxyethyl stearate

Structural Information

Molecular Formula
C24H48O3
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCCOCCCC
InChI
InChI=1S/C24H48O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(25)27-23-22-26-21-6-4-2/h3-23H2,1-2H3
InChIKey
NHUXFMNHQIITCP-UHFFFAOYSA-N
Compound name
2-butoxyethyl octadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2488
Patents

384.36035 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.36763 208.7
[M+Na]+ 407.34957 208.5
[M-H]- 383.35307 205.6
[M+NH4]+ 402.39417 212.4
[M+K]+ 423.32351 204.8
[M+H-H2O]+ 367.35761 200.5
[M+HCOO]- 429.35855 226.4
[M+CH3COO]- 443.37420 226.0
[M+Na-2H]- 405.33502 204.9
[M]+ 384.35980 219.8
[M]- 384.36090 219.8
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