CID 21876130

150639-15-9

Structural Information

Molecular Formula
C10H12O
SMILES
C1C(CC1O)C2=CC=CC=C2
InChI
InChI=1S/C10H12O/c11-10-6-9(7-10)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2
InChIKey
BLLLZEOPEKUXEG-UHFFFAOYSA-N
Compound name
3-phenylcyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
Patents

148.08882 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.09610 125.8
[M+Na]+ 171.07804 132.0
[M-H]- 147.08154 131.3
[M+NH4]+ 166.12264 140.2
[M+K]+ 187.05198 132.6
[M+H-H2O]+ 131.08608 115.4
[M+HCOO]- 193.08702 147.3
[M+CH3COO]- 207.10267 176.6
[M+Na-2H]- 169.06349 132.4
[M]+ 148.08827 132.0
[M]- 148.08937 132.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe