CID 32611

2-(2-(2-hydroxypropoxy)propoxy)-1-propanol

Structural Information

Molecular Formula
C9H20O4
SMILES
CC(CO)OCC(C)OCC(C)O
InChI
InChI=1S/C9H20O4/c1-7(11)5-12-9(3)6-13-8(2)4-10/h7-11H,4-6H2,1-3H3
InChIKey
LCZVSXRMYJUNFX-UHFFFAOYSA-N
Compound name
2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

110186
Patents

192.13615 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.143426 146.8
[M+Na]+ 215.125368 151.1
[M-H]- 191.128874 143.8
[M+NH4]+ 210.169973 164.8
[M+K]+ 231.099308 151.6
[M+H-H2O]+ 175.133410 141.8
[M+HCOO]- 237.134351 164.5
[M+CH3COO]- 251.150001 181.5
[M+Na-2H]- 213.110816 147.3
[M]+ 192.13560142 149.2
[M]- 192.13669858 149.2
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