CID 61615991

2-(4-chlorophenyl)-2-(cyclopropylmethoxy)ethan-1-amine

Structural Information

Molecular Formula
C12H16ClNO
SMILES
C1CC1COC(CN)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H16ClNO/c13-11-5-3-10(4-6-11)12(7-14)15-8-9-1-2-9/h3-6,9,12H,1-2,7-8,14H2
InChIKey
VMVKQNVNUJNNGI-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-2-(cyclopropylmethoxy)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.09204 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.099316 144.3
[M+Na]+ 248.081258 152.7
[M-H]- 224.084764 150.9
[M+NH4]+ 243.125863 158.1
[M+K]+ 264.055198 147.9
[M+H-H2O]+ 208.089300 138.2
[M+HCOO]- 270.090241 163.8
[M+CH3COO]- 284.105891 193.7
[M+Na-2H]- 246.066706 148.7
[M]+ 225.09149142 147.9
[M]- 225.09258858 147.9
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

No patent data available for this compound.