CID 80218761

1499573-40-8

Structural Information

Molecular Formula
C9H13ClN2
SMILES
CCNC(C)C1=NC=C(C=C1)Cl
InChI
InChI=1S/C9H13ClN2/c1-3-11-7(2)9-5-4-8(10)6-12-9/h4-7,11H,3H2,1-2H3
InChIKey
JPTPELFZMIAWNJ-UHFFFAOYSA-N
Compound name
1-(5-chloro-2-pyridinyl)-N-ethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.07672 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.083996 138.7
[M+Na]+ 207.065938 146.7
[M-H]- 183.069444 140.8
[M+NH4]+ 202.110543 158.0
[M+K]+ 223.039878 143.1
[M+H-H2O]+ 167.073980 132.8
[M+HCOO]- 229.074921 157.4
[M+CH3COO]- 243.090571 184.6
[M+Na-2H]- 205.051386 144.9
[M]+ 184.07617142 140.1
[M]- 184.07726858 140.1
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

No patent data available for this compound.