CID 107341

4806-79-5

Structural Information

Molecular Formula
C9H12ClN
SMILES
CC(CN)C1=CC=C(C=C1)Cl
InChI
InChI=1S/C9H12ClN/c1-7(6-11)8-2-4-9(10)5-3-8/h2-5,7H,6,11H2,1H3
InChIKey
FLACJAGRDZAFJF-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

206
Patents

169.06583 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.073106 135.1
[M+Na]+ 192.055048 143.2
[M-H]- 168.058554 138.3
[M+NH4]+ 187.099653 156.1
[M+K]+ 208.028988 139.3
[M+H-H2O]+ 152.063090 130.4
[M+HCOO]- 214.064031 154.5
[M+CH3COO]- 228.079681 181.3
[M+Na-2H]- 190.040496 140.1
[M]+ 169.06528142 135.0
[M]- 169.06637858 135.0
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