CID 143187

1-(4-methoxyphenyl)pyrrolidine

Structural Information

Molecular Formula
C11H15NO
SMILES
COC1=CC=C(C=C1)N2CCCC2
InChI
InChI=1S/C11H15NO/c1-13-11-6-4-10(5-7-11)12-8-2-3-9-12/h4-7H,2-3,8-9H2,1H3
InChIKey
VVGHYJTYYXOIGG-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

95
Patents

177.11537 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.12265 138.5
[M+Na]+ 200.10459 145.2
[M-H]- 176.10809 143.5
[M+NH4]+ 195.14919 158.9
[M+K]+ 216.07853 143.1
[M+H-H2O]+ 160.11263 131.2
[M+HCOO]- 222.11357 160.7
[M+CH3COO]- 236.12922 179.4
[M+Na-2H]- 198.09004 142.9
[M]+ 177.11482 136.7
[M]- 177.11592 136.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe