CID 72213675

2007920-71-8

Structural Information

Molecular Formula
C9H11ClN2
SMILES
C1CC(C1)(C2=CN=C(C=C2)Cl)N
InChI
InChI=1S/C9H11ClN2/c10-8-3-2-7(6-12-8)9(11)4-1-5-9/h2-3,6H,1,4-5,11H2
InChIKey
MTUNMENRAFETMO-UHFFFAOYSA-N
Compound name
1-(6-chloro-3-pyridinyl)cyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

182.06108 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.068356 134.1
[M+Na]+ 205.050298 142.0
[M-H]- 181.053804 138.8
[M+NH4]+ 200.094903 148.6
[M+K]+ 221.024238 140.7
[M+H-H2O]+ 165.058340 123.5
[M+HCOO]- 227.059281 151.7
[M+CH3COO]- 241.074931 184.1
[M+Na-2H]- 203.035746 141.2
[M]+ 182.06053142 141.2
[M]- 182.06162858 141.2
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

patents stripe