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]+ 226.09932 144.3
[M+Na]+ 248.08126 152.7
[M-H]- 224.08476 150.9
[M+NH4]+ 243.12586 158.1
[M+K]+ 264.05520 147.9
[M+H-H2O]+ 208.08930 138.2
[M+HCOO]- 270.09024 163.8
[M+CH3COO]- 284.10589 193.7
[M+Na-2H]- 246.06671 148.7
[M]+ 225.09149 147.9
[M]- 225.09259 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.