CID 3021143

2-(tert-butyl)-3-methyl-2-buten-1-ol

Structural Information

Molecular Formula
C9H18O
SMILES
CC(=C(CO)C(C)(C)C)C
InChI
InChI=1S/C9H18O/c1-7(2)8(6-10)9(3,4)5/h10H,6H2,1-5H3
InChIKey
SLNIZIFYEXEDLP-UHFFFAOYSA-N
Compound name
2-tert-butyl-3-methylbut-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.13577 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.143046 134.4
[M+Na]+ 165.124988 140.5
[M-H]- 141.128494 133.5
[M+NH4]+ 160.169593 155.8
[M+K]+ 181.098928 139.9
[M+H-H2O]+ 125.133030 130.9
[M+HCOO]- 187.133971 152.7
[M+CH3COO]- 201.149621 175.3
[M+Na-2H]- 163.110436 137.7
[M]+ 142.13522142 133.8
[M]- 142.13631858 133.8
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

No patent data available for this compound.