CID 3023152

Einecs 301-086-5

Structural Information

Molecular Formula
C10H22O3
SMILES
CC(CO)OCC(C)OC(C)(C)C
InChI
InChI=1S/C10H22O3/c1-8(6-11)12-7-9(2)13-10(3,4)5/h8-9,11H,6-7H2,1-5H3
InChIKey
GYIXQTJAIAZSHP-UHFFFAOYSA-N
Compound name
2-[2-[(2-methylpropan-2-yl)oxy]propoxy]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2485
Patents

190.15689 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.164166 147.0
[M+Na]+ 213.146108 152.3
[M-H]- 189.149614 145.7
[M+NH4]+ 208.190713 166.3
[M+K]+ 229.120048 152.9
[M+H-H2O]+ 173.154150 142.6
[M+HCOO]- 235.155091 165.3
[M+CH3COO]- 249.170741 183.9
[M+Na-2H]- 211.131556 149.7
[M]+ 190.15634142 150.5
[M]- 190.15743858 150.5
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