CID 71911

Amixetrine

Structural Information

Molecular Formula
C17H27NO
SMILES
CC(C)CCOC(CN1CCCC1)C2=CC=CC=C2
InChI
InChI=1S/C17H27NO/c1-15(2)10-13-19-17(14-18-11-6-7-12-18)16-8-4-3-5-9-16/h3-5,8-9,15,17H,6-7,10-14H2,1-2H3
InChIKey
ISRODTBNJUAWEJ-UHFFFAOYSA-N
Compound name
1-[2-(3-methylbutoxy)-2-phenylethyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5770
Patents

261.20926 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.21654 167.4
[M+Na]+ 284.19848 169.9
[M-H]- 260.20198 171.0
[M+NH4]+ 279.24308 183.8
[M+K]+ 300.17242 167.2
[M+H-H2O]+ 244.20652 158.8
[M+HCOO]- 306.20746 185.5
[M+CH3COO]- 320.22311 198.0
[M+Na-2H]- 282.18393 166.7
[M]+ 261.20871 166.0
[M]- 261.20981 166.0
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.