CID 15105946

4-(tert-butoxy)-2-methylbutan-2-ol

Structural Information

Molecular Formula
C9H20O2
SMILES
CC(C)(C)OCCC(C)(C)O
InChI
InChI=1S/C9H20O2/c1-8(2,3)11-7-6-9(4,5)10/h10H,6-7H2,1-5H3
InChIKey
RVGRHAFZEQEHNE-UHFFFAOYSA-N
Compound name
2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

160.14633 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.15361 138.8
[M+Na]+ 183.13555 145.4
[M-H]- 159.13905 137.9
[M+NH4]+ 178.18015 159.6
[M+K]+ 199.10949 145.3
[M+H-H2O]+ 143.14359 135.4
[M+HCOO]- 205.14453 157.6
[M+CH3COO]- 219.16018 177.7
[M+Na-2H]- 181.12100 145.4
[M]+ 160.14578 141.3
[M]- 160.14688 141.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe