CID 24259158

1-[(4-chlorophenyl)methyl]cyclobutan-1-amine hydrochloride

Structural Information

Molecular Formula
C11H14ClN
SMILES
C1CC(C1)(CC2=CC=C(C=C2)Cl)N
InChI
InChI=1S/C11H14ClN/c12-10-4-2-9(3-5-10)8-11(13)6-1-7-11/h2-5H,1,6-8,13H2
InChIKey
WOQGGJZUMQXWNG-UHFFFAOYSA-N
Compound name
1-[(4-chlorophenyl)methyl]cyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.08148 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.088756 138.9
[M+Na]+ 218.070698 146.1
[M-H]- 194.074204 144.9
[M+NH4]+ 213.115303 154.3
[M+K]+ 234.044638 144.2
[M+H-H2O]+ 178.078740 129.2
[M+HCOO]- 240.079681 157.1
[M+CH3COO]- 254.095331 187.4
[M+Na-2H]- 216.056146 144.9
[M]+ 195.08093142 146.2
[M]- 195.08202858 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.