CID 118384

33021-02-2

Structural Information

Molecular Formula
C8H18O
SMILES
CC(C)COC(C)(C)C
InChI
InChI=1S/C8H18O/c1-7(2)6-9-8(3,4)5/h7H,6H2,1-5H3
InChIKey
UPOMCDPCTBJJDA-UHFFFAOYSA-N
Compound name
2-methyl-1-[(2-methylpropan-2-yl)oxy]propane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1293
Patents

130.13577 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.143046 130.6
[M+Na]+ 153.124988 137.5
[M-H]- 129.128494 131.2
[M+NH4]+ 148.169593 153.3
[M+K]+ 169.098928 138.2
[M+H-H2O]+ 113.133030 126.9
[M+HCOO]- 175.133971 151.6
[M+CH3COO]- 189.149621 175.8
[M+Na-2H]- 151.110436 136.2
[M]+ 130.13522142 133.0
[M]- 130.13631858 133.0
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