CID 12088586

1-chloro-n-methyl-1-phenyl-2-propanamine

Structural Information

Molecular Formula
C10H14ClN
SMILES
C[C@@H]([C@H](C1=CC=CC=C1)Cl)NC
InChI
InChI=1S/C10H14ClN/c1-8(12-2)10(11)9-6-4-3-5-7-9/h3-8,10,12H,1-2H3/t8-,10+/m0/s1
InChIKey
HZCQDJZPLJOGQS-WCBMZHEXSA-N
Compound name
(1S,2S)-1-chloro-N-methyl-1-phenylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

183.08148 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.088756 139.8
[M+Na]+ 206.070698 146.2
[M-H]- 182.074204 143.0
[M+NH4]+ 201.115303 160.2
[M+K]+ 222.044638 142.8
[M+H-H2O]+ 166.078740 134.7
[M+HCOO]- 228.079681 158.5
[M+CH3COO]- 242.095331 184.8
[M+Na-2H]- 204.056146 144.8
[M]+ 183.08093142 140.1
[M]- 183.08202858 140.1
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

No patent data available for this compound.