CID 116491298

2-cyclobutyl-2-methylpropan-1-ol

Structural Information

Molecular Formula
C8H16O
SMILES
CC(C)(CO)C1CCC1
InChI
InChI=1S/C8H16O/c1-8(2,6-9)7-4-3-5-7/h7,9H,3-6H2,1-2H3
InChIKey
AJGPPZYQZMWBDB-UHFFFAOYSA-N
Compound name
2-cyclobutyl-2-methylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

128.12012 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.127396 127.8
[M+Na]+ 151.109338 132.7
[M-H]- 127.112844 129.9
[M+NH4]+ 146.153943 143.0
[M+K]+ 167.083278 134.8
[M+H-H2O]+ 111.117380 118.8
[M+HCOO]- 173.118321 146.6
[M+CH3COO]- 187.133971 174.5
[M+Na-2H]- 149.094786 133.8
[M]+ 128.11957142 134.7
[M]- 128.12066858 134.7
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.