CID 134772

84467-54-9

Structural Information

Molecular Formula
C15H22ClN
SMILES
CC(C)CC(C1(CCC1)C2=CC=C(C=C2)Cl)N
InChI
InChI=1S/C15H22ClN/c1-11(2)10-14(17)15(8-3-9-15)12-4-6-13(16)7-5-12/h4-7,11,14H,3,8-10,17H2,1-2H3
InChIKey
WQSACWZKKZPCHN-UHFFFAOYSA-N
Compound name
1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

953
References

400
Patents

251.14407 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.15135 158.3
[M+Na]+ 274.13329 165.8
[M+NH4]+ 269.17789 164.9
[M+K]+ 290.10723 158.6
[M-H]- 250.13679 159.9
[M+Na-2H]- 272.11874 163.9
[M]+ 251.14352 159.1
[M]- 251.14462 159.1
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