CID 116225832

3-cyclobutyl-2-methylpropan-1-ol

Structural Information

Molecular Formula
C8H16O
SMILES
CC(CC1CCC1)CO
InChI
InChI=1S/C8H16O/c1-7(6-9)5-8-3-2-4-8/h7-9H,2-6H2,1H3
InChIKey
VDBALIKLYJTTII-UHFFFAOYSA-N
Compound name
3-cyclobutyl-2-methylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

128.12012 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.127396 129.0
[M+Na]+ 151.109338 133.2
[M-H]- 127.112844 130.8
[M+NH4]+ 146.153943 143.9
[M+K]+ 167.083278 135.4
[M+H-H2O]+ 111.117380 119.3
[M+HCOO]- 173.118321 148.3
[M+CH3COO]- 187.133971 175.0
[M+Na-2H]- 149.094786 133.1
[M]+ 128.11957142 135.7
[M]- 128.12066858 135.7
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

patents stripe