CID 124705551

3-ethyl-4-(4-methoxyphenyl)pyrrolidine hydrochloride

Structural Information

Molecular Formula
C13H19NO
SMILES
CC[C@@H]1CNC[C@H]1C2=CC=C(C=C2)OC
InChI
InChI=1S/C13H19NO/c1-3-10-8-14-9-13(10)11-4-6-12(15-2)7-5-11/h4-7,10,13-14H,3,8-9H2,1-2H3/t10-,13-/m1/s1
InChIKey
QOHJMMANTRSXCD-ZWNOBZJWSA-N
Compound name
(3S,4R)-3-ethyl-4-(4-methoxyphenyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.14667 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.153946 148.0
[M+Na]+ 228.135888 154.3
[M-H]- 204.139394 151.6
[M+NH4]+ 223.180493 166.9
[M+K]+ 244.109828 150.8
[M+H-H2O]+ 188.143930 140.9
[M+HCOO]- 250.144871 168.0
[M+CH3COO]- 264.160521 183.9
[M+Na-2H]- 226.121336 150.1
[M]+ 205.14612142 145.4
[M]- 205.14721858 145.4
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.