CID 3756957

2-(4-methoxyphenyl)pyrrolidine

Structural Information

Molecular Formula
C11H15NO
SMILES
COC1=CC=C(C=C1)C2CCCN2
InChI
InChI=1S/C11H15NO/c1-13-10-6-4-9(5-7-10)11-3-2-8-12-11/h4-7,11-12H,2-3,8H2,1H3
InChIKey
HCBLZPKEGFYHDN-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

177.11537 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.122646 139.0
[M+Na]+ 200.104588 145.3
[M-H]- 176.108094 142.6
[M+NH4]+ 195.149193 158.7
[M+K]+ 216.078528 142.3
[M+H-H2O]+ 160.112630 132.0
[M+HCOO]- 222.113571 159.7
[M+CH3COO]- 236.129221 176.8
[M+Na-2H]- 198.090036 142.9
[M]+ 177.11482142 135.4
[M]- 177.11591858 135.4
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