CID 70038911

(1-phenylcyclobutyl)methanol

Structural Information

Molecular Formula
C11H14O
SMILES
C1CC(C1)(CO)C2=CC=CC=C2
InChI
InChI=1S/C11H14O/c12-9-11(7-4-8-11)10-5-2-1-3-6-10/h1-3,5-6,12H,4,7-9H2
InChIKey
OVUJZRDYWMZBBE-UHFFFAOYSA-N
Compound name
(1-phenylcyclobutyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

162.10446 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.11174 133.0
[M+Na]+ 185.09368 138.8
[M-H]- 161.09718 138.4
[M+NH4]+ 180.13828 148.5
[M+K]+ 201.06762 139.1
[M+H-H2O]+ 145.10172 123.1
[M+HCOO]- 207.10266 154.1
[M+CH3COO]- 221.11831 178.1
[M+Na-2H]- 183.07913 140.5
[M]+ 162.10391 139.4
[M]- 162.10501 139.4
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.