CID 198688

Tripropylene glycol monomethyl ether benzoate

Structural Information

Molecular Formula
C17H26O5
SMILES
CC(COCCCOC)OCCCOC(=O)C1=CC=CC=C1
InChI
InChI=1S/C17H26O5/c1-15(14-20-11-6-10-19-2)21-12-7-13-22-17(18)16-8-4-3-5-9-16/h3-5,8-9,15H,6-7,10-14H2,1-2H3
InChIKey
BEVNMDIBCATXFZ-UHFFFAOYSA-N
Compound name
3-[1-(3-methoxypropoxy)propan-2-yloxy]propyl benzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

310.178 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.18528 176.0
[M+Na]+ 333.16722 179.4
[M-H]- 309.17072 178.1
[M+NH4]+ 328.21182 190.3
[M+K]+ 349.14116 178.7
[M+H-H2O]+ 293.17526 168.0
[M+HCOO]- 355.17620 197.2
[M+CH3COO]- 369.19185 205.5
[M+Na-2H]- 331.15267 177.5
[M]+ 310.17745 184.0
[M]- 310.17855 184.0
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

No patent data available for this compound.