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-chloropyridin-3-yl)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]+ 226.06293 141.9
[M+Na]+ 248.04487 149.8
[M-H]- 224.04837 147.2
[M+NH4]+ 243.08947 155.3
[M+K]+ 264.01881 149.4
[M+H-H2O]+ 208.05291 131.5
[M+HCOO]- 270.05385 158.2
[M+CH3COO]- 284.06950 189.1
[M+Na-2H]- 246.03032 147.8
[M]+ 225.05510 152.9
[M]- 225.05620 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.