CID 20027470

32560-59-1

Structural Information

Molecular Formula
C9H12ClN
SMILES
CC(CC1=CC(=CC=C1)Cl)N
InChI
InChI=1S/C9H12ClN/c1-7(11)5-8-3-2-4-9(10)6-8/h2-4,6-7H,5,11H2,1H3
InChIKey
ORWQJKNRYUIFJU-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

57
Patents

169.06583 Da
Monoisotopic Mass

2.7
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