CID 2507691

(s)-1-(3-chlorophenyl)ethanamine

Structural Information

Molecular Formula
C8H10ClN
SMILES
C[C@@H](C1=CC(=CC=C1)Cl)N
InChI
InChI=1S/C8H10ClN/c1-6(10)7-3-2-4-8(9)5-7/h2-6H,10H2,1H3/t6-/m0/s1
InChIKey
DQEYVZASLGNODG-LURJTMIESA-N
Compound name
(1S)-1-(3-chlorophenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

722
Patents

155.05017 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.05745 130.4
[M+Na]+ 178.03939 138.9
[M-H]- 154.04289 133.7
[M+NH4]+ 173.08399 152.0
[M+K]+ 194.01333 135.2
[M+H-H2O]+ 138.04743 126.0
[M+HCOO]- 200.04837 150.1
[M+CH3COO]- 214.06402 178.3
[M+Na-2H]- 176.02484 136.0
[M]+ 155.04962 129.9
[M]- 155.05072 129.9
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