CID 3053110

69551-97-9

Structural Information

Molecular Formula
C17H23NO
SMILES
CCCC1(CCN(C1)CC#C)C2=CC(=CC=C2)OC
InChI
InChI=1S/C17H23NO/c1-4-9-17(10-12-18(14-17)11-5-2)15-7-6-8-16(13-15)19-3/h2,6-8,13H,4,9-12,14H2,1,3H3
InChIKey
YDRJTYWSYJJAPR-UHFFFAOYSA-N
Compound name
3-(3-methoxyphenyl)-3-propyl-1-prop-2-ynylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.17798 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.185256 160.5
[M+Na]+ 280.167198 170.0
[M-H]- 256.170704 163.3
[M+NH4]+ 275.211803 177.7
[M+K]+ 296.141138 163.0
[M+H-H2O]+ 240.175240 147.1
[M+HCOO]- 302.176181 175.4
[M+CH3COO]- 316.191831 202.9
[M+Na-2H]- 278.152646 161.6
[M]+ 257.17743142 155.5
[M]- 257.17852858 155.5
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.