CID 200314

1507-67-1

Structural Information

Molecular Formula
C18H29NO
SMILES
CCCC1CN(CC1(CCC)C2=CC(=CC=C2)OC)C
InChI
InChI=1S/C18H29NO/c1-5-8-16-13-19(3)14-18(16,11-6-2)15-9-7-10-17(12-15)20-4/h7,9-10,12,16H,5-6,8,11,13-14H2,1-4H3
InChIKey
KWTRXVKMPIRKBE-UHFFFAOYSA-N
Compound name
3-(3-methoxyphenyl)-1-methyl-3,4-dipropylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.2249 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.23218 168.2
[M+Na]+ 298.21412 174.7
[M-H]- 274.21762 173.1
[M+NH4]+ 293.25872 187.4
[M+K]+ 314.18806 171.1
[M+H-H2O]+ 258.22216 160.9
[M+HCOO]- 320.22310 188.1
[M+CH3COO]- 334.23875 202.2
[M+Na-2H]- 296.19957 168.7
[M]+ 275.22435 170.0
[M]- 275.22545 170.0
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

No patent data available for this compound.