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]+ 129.12740 127.8
[M+Na]+ 151.10934 132.7
[M-H]- 127.11284 129.9
[M+NH4]+ 146.15394 143.0
[M+K]+ 167.08328 134.8
[M+H-H2O]+ 111.11738 118.8
[M+HCOO]- 173.11832 146.6
[M+CH3COO]- 187.13397 174.5
[M+Na-2H]- 149.09479 133.8
[M]+ 128.11957 134.7
[M]- 128.12067 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.