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

539
Patents

378.277 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.284276 200.1
[M+Na]+ 401.266218 201.3
[M-H]- 377.269724 200.9
[M+NH4]+ 396.310823 211.7
[M+K]+ 417.240158 197.9
[M+H-H2O]+ 361.274260 191.0
[M+HCOO]- 423.275201 220.0
[M+CH3COO]- 437.290851 220.3
[M+Na-2H]- 399.251666 199.5
[M]+ 378.27645142 209.4
[M]- 378.27754858 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