CID 22046092

2-ethyl-2-(3-methoxyphenyl)pyrrolidine

Structural Information

Molecular Formula
C13H19NO
SMILES
CCC1(CCCN1)C2=CC(=CC=C2)OC
InChI
InChI=1S/C13H19NO/c1-3-13(8-5-9-14-13)11-6-4-7-12(10-11)15-2/h4,6-7,10,14H,3,5,8-9H2,1-2H3
InChIKey
QVMWXRFZJTVMSE-UHFFFAOYSA-N
Compound name
2-ethyl-2-(3-methoxyphenyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

205.14667 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.15395 147.8
[M+Na]+ 228.13589 154.2
[M-H]- 204.13939 151.5
[M+NH4]+ 223.18049 168.5
[M+K]+ 244.10983 150.9
[M+H-H2O]+ 188.14393 141.1
[M+HCOO]- 250.14487 168.0
[M+CH3COO]- 264.16052 182.3
[M+Na-2H]- 226.12134 151.8
[M]+ 205.14612 145.2
[M]- 205.14722 145.2
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