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]+ 192.138286 143.4
[M+Na]+ 214.120228 150.2
[M-H]- 190.123734 147.2
[M+NH4]+ 209.164833 162.8
[M+K]+ 230.094168 146.9
[M+H-H2O]+ 174.128270 136.5
[M+HCOO]- 236.129211 163.8
[M+CH3COO]- 250.144861 180.9
[M+Na-2H]- 212.105676 146.1
[M]+ 191.13046142 140.5
[M]- 191.13155858 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