CID 15429065

3-(3-methoxyphenyl)-3-methylpyrrolidine hydrochloride

Structural Information

Molecular Formula
C12H17NO
SMILES
CC1(CCNC1)C2=CC(=CC=C2)OC
InChI
InChI=1S/C12H17NO/c1-12(6-7-13-9-12)10-4-3-5-11(8-10)14-2/h3-5,8,13H,6-7,9H2,1-2H3
InChIKey
FRUJQSYHJKSUMV-UHFFFAOYSA-N
Compound name
3-(3-methoxyphenyl)-3-methylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

191.13101 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 143.3
[M+Na]+ 214.12023 150.2
[M-H]- 190.12373 147.2
[M+NH4]+ 209.16483 164.5
[M+K]+ 230.09417 147.1
[M+H-H2O]+ 174.12827 136.8
[M+HCOO]- 236.12921 163.8
[M+CH3COO]- 250.14486 179.3
[M+Na-2H]- 212.10568 147.8
[M]+ 191.13046 140.4
[M]- 191.13156 140.4
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

patents stripe