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]+ 129.12740 129.0
[M+Na]+ 151.10934 133.2
[M-H]- 127.11284 130.8
[M+NH4]+ 146.15394 143.9
[M+K]+ 167.08328 135.4
[M+H-H2O]+ 111.11738 119.3
[M+HCOO]- 173.11832 148.3
[M+CH3COO]- 187.13397 175.0
[M+Na-2H]- 149.09479 133.1
[M]+ 128.11957 135.7
[M]- 128.12067 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