CID 3057969

74332-80-2

Structural Information

Molecular Formula
C15H23NO
SMILES
CCCC(C1=CC=C(C=C1)OC)N2CCCC2
InChI
InChI=1S/C15H23NO/c1-3-6-15(16-11-4-5-12-16)13-7-9-14(17-2)10-8-13/h7-10,15H,3-6,11-12H2,1-2H3
InChIKey
OGDQQIOZHSSBOV-UHFFFAOYSA-N
Compound name
1-[1-(4-methoxyphenyl)butyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.17796 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.18524 157.4
[M+Na]+ 256.16718 162.0
[M-H]- 232.17068 161.8
[M+NH4]+ 251.21178 175.5
[M+K]+ 272.14112 159.4
[M+H-H2O]+ 216.17522 149.5
[M+HCOO]- 278.17616 177.3
[M+CH3COO]- 292.19181 192.3
[M+Na-2H]- 254.15263 158.4
[M]+ 233.17741 156.4
[M]- 233.17851 156.4
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