CID 129318750

(1rs)-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-1-ol

Structural Information

Molecular Formula
C15H21ClO
SMILES
CC(C)CC(C1(CCC1)C2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C15H21ClO/c1-11(2)10-14(17)15(8-3-9-15)12-4-6-13(16)7-5-12/h4-7,11,14,17H,3,8-10H2,1-2H3
InChIKey
DBOGVAUBRAUYQB-UHFFFAOYSA-N
Compound name
1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.1281 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.13538 157.2
[M+Na]+ 275.11732 162.5
[M-H]- 251.12082 161.9
[M+NH4]+ 270.16192 170.1
[M+K]+ 291.09126 160.7
[M+H-H2O]+ 235.12536 147.6
[M+HCOO]- 297.12630 170.6
[M+CH3COO]- 311.14195 196.1
[M+Na-2H]- 273.10277 159.0
[M]+ 252.12755 166.0
[M]- 252.12865 166.0
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.