CID 86674551

(1s)-1-(3-chloropyridin-4-yl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C7H9ClN2
SMILES
C[C@@H](C1=C(C=NC=C1)Cl)N
InChI
InChI=1S/C7H9ClN2/c1-5(9)6-2-3-10-4-7(6)8/h2-5H,9H2,1H3/t5-/m0/s1
InChIKey
RKPIAZZODCNIEH-YFKPBYRVSA-N
Compound name
(1S)-1-(3-chloro-4-pyridinyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

156.04543 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.052706 129.9
[M+Na]+ 179.034648 138.8
[M-H]- 155.038154 131.9
[M+NH4]+ 174.079253 150.1
[M+K]+ 195.008588 135.3
[M+H-H2O]+ 139.042690 124.5
[M+HCOO]- 201.043631 148.6
[M+CH3COO]- 215.059281 177.8
[M+Na-2H]- 177.020096 136.1
[M]+ 156.04488142 129.5
[M]- 156.04597858 129.5
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