CID 19593962

Laureth-2 benzoate

Structural Information

Molecular Formula
C23H38O4
SMILES
CCCCCCCCCCCCOCCOCCOC(=O)C1=CC=CC=C1
InChI
InChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-14-17-25-18-19-26-20-21-27-23(24)22-15-12-11-13-16-22/h11-13,15-16H,2-10,14,17-21H2,1H3
InChIKey
OAHKIYOTXOCPNI-UHFFFAOYSA-N
Compound name
2-(2-dodecoxyethoxy)ethyl benzoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

361
Patents

378.277 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.28428 200.1
[M+Na]+ 401.26622 201.3
[M-H]- 377.26972 200.9
[M+NH4]+ 396.31082 211.7
[M+K]+ 417.24016 197.9
[M+H-H2O]+ 361.27426 191.0
[M+HCOO]- 423.27520 220.0
[M+CH3COO]- 437.29085 220.3
[M+Na-2H]- 399.25167 199.5
[M]+ 378.27645 209.4
[M]- 378.27755 209.4
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

patents stripe