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]+ 258.18526 160.5
[M+Na]+ 280.16720 170.0
[M-H]- 256.17070 163.3
[M+NH4]+ 275.21180 177.7
[M+K]+ 296.14114 163.0
[M+H-H2O]+ 240.17524 147.1
[M+HCOO]- 302.17618 175.4
[M+CH3COO]- 316.19183 202.9
[M+Na-2H]- 278.15265 161.6
[M]+ 257.17743 155.5
[M]- 257.17853 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.