CID 63587446

2-chloro-6-cyclobutoxypyridine

Structural Information

Molecular Formula
C9H10ClNO
SMILES
C1CC(C1)OC2=NC(=CC=C2)Cl
InChI
InChI=1S/C9H10ClNO/c10-8-5-2-6-9(11-8)12-7-3-1-4-7/h2,5-7H,1,3-4H2
InChIKey
AVAWGCJARZESGD-UHFFFAOYSA-N
Compound name
2-chloro-6-cyclobutyloxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

183.04509 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.05237 128.0
[M+Na]+ 206.03431 136.0
[M-H]- 182.03781 133.0
[M+NH4]+ 201.07891 141.2
[M+K]+ 222.00825 135.6
[M+H-H2O]+ 166.04235 117.0
[M+HCOO]- 228.04329 145.6
[M+CH3COO]- 242.05894 182.5
[M+Na-2H]- 204.01976 135.4
[M]+ 183.04454 138.0
[M]- 183.04564 138.0
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