CID 131499950

1887059-60-0

Structural Information

Molecular Formula
C11H12ClNO2
SMILES
COC(=O)C1(CCC1)C2=CN=C(C=C2)Cl
InChI
InChI=1S/C11H12ClNO2/c1-15-10(14)11(5-2-6-11)8-3-4-9(12)13-7-8/h3-4,7H,2,5-6H2,1H3
InChIKey
RLJYATGKZRXGRA-UHFFFAOYSA-N
Compound name
methyl 1-(6-chloro-3-pyridinyl)cyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.05565 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.062926 141.9
[M+Na]+ 248.044868 149.8
[M-H]- 224.048374 147.2
[M+NH4]+ 243.089473 155.3
[M+K]+ 264.018808 149.4
[M+H-H2O]+ 208.052910 131.5
[M+HCOO]- 270.053851 158.2
[M+CH3COO]- 284.069501 189.1
[M+Na-2H]- 246.030316 147.8
[M]+ 225.05510142 152.9
[M]- 225.05619858 152.9
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.