CID 5200411

879663-52-2

Structural Information

Molecular Formula
C9H12ClN
SMILES
C1=CC=C(C(=C1)CCCN)Cl
InChI
InChI=1S/C9H12ClN/c10-9-6-2-1-4-8(9)5-3-7-11/h1-2,4,6H,3,5,7,11H2
InChIKey
IBVNNEPIXJSRAS-UHFFFAOYSA-N
Compound name
3-(2-chlorophenyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

81
Patents

169.06583 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.07311 133.7
[M+Na]+ 192.05505 147.4
[M+NH4]+ 187.09965 143.6
[M+K]+ 208.02899 139.2
[M-H]- 168.05855 137.3
[M+Na-2H]- 190.04050 141.7
[M]+ 169.06528 137.0
[M]- 169.06638 137.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe