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

680
Patents

155.05017 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.057446 130.4
[M+Na]+ 178.039388 138.9
[M-H]- 154.042894 133.7
[M+NH4]+ 173.083993 152.0
[M+K]+ 194.013328 135.2
[M+H-H2O]+ 138.047430 126.0
[M+HCOO]- 200.048371 150.1
[M+CH3COO]- 214.064021 178.3
[M+Na-2H]- 176.024836 136.0
[M]+ 155.04962142 129.9
[M]- 155.05071858 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