CID 12536780

(2r)-3-(tert-butoxy)-2-methylpropan-1-ol

Structural Information

Molecular Formula
C8H18O2
SMILES
C[C@H](CO)COC(C)(C)C
InChI
InChI=1S/C8H18O2/c1-7(5-9)6-10-8(2,3)4/h7,9H,5-6H2,1-4H3/t7-/m1/s1
InChIKey
AARKSKPTFDLLAS-SSDOTTSWSA-N
Compound name
(2R)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

146.13068 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.137956 134.9
[M+Na]+ 169.119898 141.3
[M-H]- 145.123404 133.9
[M+NH4]+ 164.164503 156.1
[M+K]+ 185.093838 141.4
[M+H-H2O]+ 129.127940 131.1
[M+HCOO]- 191.128881 154.6
[M+CH3COO]- 205.144531 175.0
[M+Na-2H]- 167.105346 139.9
[M]+ 146.13013142 136.8
[M]- 146.13122858 136.8
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