CID 30111

2-propanol, 1-[2-(2-methoxy-1-methylethoxy)-1-methylethoxy]-

Structural Information

Molecular Formula
C10H22O4
SMILES
CC(COC(C)COC(C)COC)O
InChI
InChI=1S/C10H22O4/c1-8(11)5-13-10(3)7-14-9(2)6-12-4/h8-11H,5-7H2,1-4H3
InChIKey
HPFDGTFXAVIVTH-UHFFFAOYSA-N
Compound name
1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

2
References

27051
Patents

206.15181 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.15909 150.8
[M+Na]+ 229.14103 155.1
[M-H]- 205.14453 149.0
[M+NH4]+ 224.18563 169.0
[M+K]+ 245.11497 156.3
[M+H-H2O]+ 189.14907 145.4
[M+HCOO]- 251.15001 169.7
[M+CH3COO]- 265.16566 187.1
[M+Na-2H]- 227.12648 151.4
[M]+ 206.15126 155.5
[M]- 206.15236 155.5
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