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-chloropyridin-4-yl)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]+ 157.05271 129.9
[M+Na]+ 179.03465 138.8
[M-H]- 155.03815 131.9
[M+NH4]+ 174.07925 150.1
[M+K]+ 195.00859 135.3
[M+H-H2O]+ 139.04269 124.5
[M+HCOO]- 201.04363 148.6
[M+CH3COO]- 215.05928 177.8
[M+Na-2H]- 177.02010 136.1
[M]+ 156.04488 129.5
[M]- 156.04598 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