CID 61779484

1227418-18-9

Structural Information

Molecular Formula
C11H14ClN
SMILES
C1CC(C1)(CN)C2=CC=CC=C2Cl
InChI
InChI=1S/C11H14ClN/c12-10-5-2-1-4-9(10)11(8-13)6-3-7-11/h1-2,4-5H,3,6-8,13H2
InChIKey
KNKTVPIXEOLSNL-UHFFFAOYSA-N
Compound name
[1-(2-chlorophenyl)cyclobutyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.08148 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.08876 138.9
[M+Na]+ 218.07070 146.1
[M-H]- 194.07420 144.9
[M+NH4]+ 213.11530 154.3
[M+K]+ 234.04464 144.2
[M+H-H2O]+ 178.07874 129.2
[M+HCOO]- 240.07968 157.1
[M+CH3COO]- 254.09533 187.4
[M+Na-2H]- 216.05615 144.9
[M]+ 195.08093 146.2
[M]- 195.08203 146.2
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.