CID 22895896

2-(2-propoxypropoxy)ethanol

Structural Information

Molecular Formula
C8H18O3
SMILES
CCCOC(C)COCCO
InChI
InChI=1S/C8H18O3/c1-3-5-11-8(2)7-10-6-4-9/h8-9H,3-7H2,1-2H3
InChIKey
CTKXFMQHOOWWEB-UHFFFAOYSA-N
Compound name
2-(2-propoxypropoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32668
Patents

162.1256 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.13288 138.2
[M+Na]+ 185.11482 143.9
[M-H]- 161.11832 136.7
[M+NH4]+ 180.15942 158.4
[M+K]+ 201.08876 144.1
[M+H-H2O]+ 145.12286 133.3
[M+HCOO]- 207.12380 159.6
[M+CH3COO]- 221.13945 177.3
[M+Na-2H]- 183.10027 142.4
[M]+ 162.12505 142.0
[M]- 162.12615 142.0
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