CID 64436573

3-[1-(3-methoxyphenyl)ethyl]pyrrolidine hydrochloride

Structural Information

Molecular Formula
C13H19NO
SMILES
CC(C1CCNC1)C2=CC(=CC=C2)OC
InChI
InChI=1S/C13H19NO/c1-10(12-6-7-14-9-12)11-4-3-5-13(8-11)15-2/h3-5,8,10,12,14H,6-7,9H2,1-2H3
InChIKey
FEWXZMIVEAKPBV-UHFFFAOYSA-N
Compound name
3-[1-(3-methoxyphenyl)ethyl]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]+ 206.15395 148.6
[M+Na]+ 228.13589 153.7
[M-H]- 204.13939 152.0
[M+NH4]+ 223.18049 167.1
[M+K]+ 244.10983 150.7
[M+H-H2O]+ 188.14393 141.4
[M+HCOO]- 250.14487 167.7
[M+CH3COO]- 264.16052 183.6
[M+Na-2H]- 226.12134 150.3
[M]+ 205.14612 145.1
[M]- 205.14722 145.1
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

No patent data available for this compound.