CID 21124864

Ns00050498

Structural Information

Molecular Formula
C17H27NO
SMILES
CC(C)CCOC1=CC=CC=C1CCN2CCCC2
InChI
InChI=1S/C17H27NO/c1-15(2)10-14-19-17-8-4-3-7-16(17)9-13-18-11-5-6-12-18/h3-4,7-8,15H,5-6,9-14H2,1-2H3
InChIKey
WYIDYHUPOBIZFH-UHFFFAOYSA-N
Compound name
1-[2-[2-(3-methylbutoxy)phenyl]ethyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.20926 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.216536 166.6
[M+Na]+ 284.198478 170.4
[M-H]- 260.201984 170.6
[M+NH4]+ 279.243083 183.5
[M+K]+ 300.172418 167.2
[M+H-H2O]+ 244.206520 158.2
[M+HCOO]- 306.207461 185.8
[M+CH3COO]- 320.223111 198.2
[M+Na-2H]- 282.183926 166.5
[M]+ 261.20871142 166.3
[M]- 261.20980858 166.3
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.