CID 54594593

4-(4-methoxyphenyl)-2-methylpyrrolidine

Structural Information

Molecular Formula
C12H17NO
SMILES
CC1CC(CN1)C2=CC=C(C=C2)OC
InChI
InChI=1S/C12H17NO/c1-9-7-11(8-13-9)10-3-5-12(14-2)6-4-10/h3-6,9,11,13H,7-8H2,1-2H3
InChIKey
QVGZCXWSVLIGDZ-UHFFFAOYSA-N
Compound name
4-(4-methoxyphenyl)-2-methylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.13101 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 143.4
[M+Na]+ 214.12023 150.2
[M-H]- 190.12373 147.2
[M+NH4]+ 209.16483 162.8
[M+K]+ 230.09417 146.9
[M+H-H2O]+ 174.12827 136.5
[M+HCOO]- 236.12921 163.8
[M+CH3COO]- 250.14486 180.9
[M+Na-2H]- 212.10568 146.1
[M]+ 191.13046 140.5
[M]- 191.13156 140.5
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