CID 45787914

2-chloro-4-cyclopropylpyridine

Structural Information

Molecular Formula
C8H8ClN
SMILES
C1CC1C2=CC(=NC=C2)Cl
InChI
InChI=1S/C8H8ClN/c9-8-5-7(3-4-10-8)6-1-2-6/h3-6H,1-2H2
InChIKey
OPTFJIRCPIPPQZ-UHFFFAOYSA-N
Compound name
2-chloro-4-cyclopropylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

153.03453 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.041806 128.4
[M+Na]+ 176.023748 139.5
[M-H]- 152.027254 134.5
[M+NH4]+ 171.068353 144.3
[M+K]+ 191.997688 135.3
[M+H-H2O]+ 136.031790 121.9
[M+HCOO]- 198.032731 148.1
[M+CH3COO]- 212.048381 142.4
[M+Na-2H]- 174.009196 136.3
[M]+ 153.03398142 131.5
[M]- 153.03507858 131.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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