CID 91213144

2-cyclobutyl-2-phenylethan-1-ol

Structural Information

Molecular Formula
C12H16O
SMILES
C1CC(C1)C(CO)C2=CC=CC=C2
InChI
InChI=1S/C12H16O/c13-9-12(11-7-4-8-11)10-5-2-1-3-6-10/h1-3,5-6,11-13H,4,7-9H2
InChIKey
FVYFUWLHTMATRJ-UHFFFAOYSA-N
Compound name
2-cyclobutyl-2-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

176.12012 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.12740 137.1
[M+Na]+ 199.10934 141.1
[M-H]- 175.11284 141.8
[M+NH4]+ 194.15394 149.8
[M+K]+ 215.08328 141.7
[M+H-H2O]+ 159.11738 125.9
[M+HCOO]- 221.11832 156.8
[M+CH3COO]- 235.13397 182.2
[M+Na-2H]- 197.09479 141.8
[M]+ 176.11957 142.8
[M]- 176.12067 142.8
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

patents stripe