CID 93059

Dipropylene glycol monoethyl ether

Structural Information

Molecular Formula
C8H18O3
SMILES
CCOC(C)COCC(C)O
InChI
InChI=1S/C8H18O3/c1-4-11-8(3)6-10-5-7(2)9/h7-9H,4-6H2,1-3H3
InChIKey
QWOZZTWBWQMEPD-UHFFFAOYSA-N
Compound name
1-(2-ethoxypropoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

31093
Patents

162.1256 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.13288 138.6
[M+Na]+ 185.11482 144.1
[M-H]- 161.11832 137.2
[M+NH4]+ 180.15942 158.7
[M+K]+ 201.08876 144.7
[M+H-H2O]+ 145.12286 133.7
[M+HCOO]- 207.12380 158.9
[M+CH3COO]- 221.13945 178.2
[M+Na-2H]- 183.10027 141.5
[M]+ 162.12505 141.8
[M]- 162.12615 141.8
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