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

60
Patents

160.14633 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.153606 138.8
[M+Na]+ 183.135548 145.4
[M-H]- 159.139054 137.9
[M+NH4]+ 178.180153 159.6
[M+K]+ 199.109488 145.3
[M+H-H2O]+ 143.143590 135.4
[M+HCOO]- 205.144531 157.6
[M+CH3COO]- 219.160181 177.7
[M+Na-2H]- 181.120996 145.4
[M]+ 160.14578142 141.3
[M]- 160.14687858 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