CID 3057970

3-(3-methoxyphenyl)-3-propylpyrrolidine

Structural Information

Molecular Formula
C14H21NO
SMILES
CCCC1(CCNC1)C2=CC(=CC=C2)OC
InChI
InChI=1S/C14H21NO/c1-3-7-14(8-9-15-11-14)12-5-4-6-13(10-12)16-2/h4-6,10,15H,3,7-9,11H2,1-2H3
InChIKey
BRSBHXXNXDSKOT-UHFFFAOYSA-N
Compound name
3-(3-methoxyphenyl)-3-propylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

219.16231 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.16959 152.3
[M+Na]+ 242.15153 158.3
[M-H]- 218.15503 155.8
[M+NH4]+ 237.19613 172.4
[M+K]+ 258.12547 154.7
[M+H-H2O]+ 202.15957 145.4
[M+HCOO]- 264.16051 172.1
[M+CH3COO]- 278.17616 185.3
[M+Na-2H]- 240.13698 155.7
[M]+ 219.16176 150.1
[M]- 219.16286 150.1
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

patents stripe