CID 21702495

(3-phenylcyclobutyl)methanol

Structural Information

Molecular Formula
C11H14O
SMILES
C1C(CC1C2=CC=CC=C2)CO
InChI
InChI=1S/C11H14O/c12-8-9-6-11(7-9)10-4-2-1-3-5-10/h1-5,9,11-12H,6-8H2
InChIKey
UDBCHONGSGQBQN-UHFFFAOYSA-N
Compound name
(3-phenylcyclobutyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

162.10446 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.11174 130.6
[M+Na]+ 185.09368 136.3
[M-H]- 161.09718 135.8
[M+NH4]+ 180.13828 144.3
[M+K]+ 201.06762 136.7
[M+H-H2O]+ 145.10172 119.9
[M+HCOO]- 207.10266 151.7
[M+CH3COO]- 221.11831 179.6
[M+Na-2H]- 183.07913 136.6
[M]+ 162.10391 137.1
[M]- 162.10501 137.1
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