CID 206554

Brn 1470188

Structural Information

Molecular Formula
C17H25NO
SMILES
CCCC1(CCN(C1)C)C2=CC(=CC=C2)OCC=C
InChI
InChI=1S/C17H25NO/c1-4-9-17(10-11-18(3)14-17)15-7-6-8-16(13-15)19-12-5-2/h5-8,13H,2,4,9-12,14H2,1,3H3
InChIKey
UCRYKTFGWVVIRD-UHFFFAOYSA-N
Compound name
1-methyl-3-(3-prop-2-enoxyphenyl)-3-propylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.1936 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.20088 163.4
[M+Na]+ 282.18282 169.7
[M-H]- 258.18632 168.1
[M+NH4]+ 277.22742 182.7
[M+K]+ 298.15676 165.7
[M+H-H2O]+ 242.19086 156.0
[M+HCOO]- 304.19180 183.8
[M+CH3COO]- 318.20745 197.2
[M+Na-2H]- 280.16827 165.0
[M]+ 259.19305 163.7
[M]- 259.19415 163.7
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.