CID 200297

3-(1-methyl-3,4-dipropylpyrrolidin-3-yl)phenol

Structural Information

Molecular Formula
C17H27NO
SMILES
CCCC1CN(CC1(CCC)C2=CC(=CC=C2)O)C
InChI
InChI=1S/C17H27NO/c1-4-7-15-12-18(3)13-17(15,10-5-2)14-8-6-9-16(19)11-14/h6,8-9,11,15,19H,4-5,7,10,12-13H2,1-3H3
InChIKey
OUKQSUHJPOBLMG-UHFFFAOYSA-N
Compound name
3-(1-methyl-3,4-dipropylpyrrolidin-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.20926 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.216536 164.4
[M+Na]+ 284.198478 171.0
[M-H]- 260.201984 168.2
[M+NH4]+ 279.243083 183.5
[M+K]+ 300.172418 166.7
[M+H-H2O]+ 244.206520 157.7
[M+HCOO]- 306.207461 183.2
[M+CH3COO]- 320.223111 196.6
[M+Na-2H]- 282.183926 165.0
[M]+ 261.20871142 164.1
[M]- 261.20980858 164.1
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.