CID 200318

1507-76-2

Structural Information

Molecular Formula
C14H21NO
SMILES
CCC1(CCN(C1)C)C2=CC(=CC=C2)OC
InChI
InChI=1S/C14H21NO/c1-4-14(8-9-15(2)11-14)12-6-5-7-13(10-12)16-3/h5-7,10H,4,8-9,11H2,1-3H3
InChIKey
WWTIKMDOLLGHEV-UHFFFAOYSA-N
Compound name
3-ethyl-3-(3-methoxyphenyl)-1-methylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.16231 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.16959 150.9
[M+Na]+ 242.15153 158.2
[M-H]- 218.15503 156.2
[M+NH4]+ 237.19613 172.0
[M+K]+ 258.12547 155.6
[M+H-H2O]+ 202.15957 144.0
[M+HCOO]- 264.16051 172.2
[M+CH3COO]- 278.17616 189.1
[M+Na-2H]- 240.13698 154.2
[M]+ 219.16176 150.9
[M]- 219.16286 150.9
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.