CID 71491884

1388218-31-2

Structural Information

Molecular Formula
C8H10ClN
SMILES
CCC1=C(N=CC=C1)CCl
InChI
InChI=1S/C8H10ClN/c1-2-7-4-3-5-10-8(7)6-9/h3-5H,2,6H2,1H3
InChIKey
VUMHTAHFUOLPNG-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-3-ethylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

155.05017 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.05745 128.8
[M+Na]+ 178.03939 138.4
[M-H]- 154.04289 131.1
[M+NH4]+ 173.08399 149.8
[M+K]+ 194.01333 134.8
[M+H-H2O]+ 138.04743 123.4
[M+HCOO]- 200.04837 147.8
[M+CH3COO]- 214.06402 176.1
[M+Na-2H]- 176.02484 136.6
[M]+ 155.04962 131.1
[M]- 155.05072 131.1
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