CID 115768

37627-76-2

Structural Information

Molecular Formula
C16H25NO
SMILES
CCCC1(CCN(C1)CCC)C2=CC(=CC=C2)O
InChI
InChI=1S/C16H25NO/c1-3-8-16(9-11-17(13-16)10-4-2)14-6-5-7-15(18)12-14/h5-7,12,18H,3-4,8-11,13H2,1-2H3
InChIKey
JZPVDDWSEXZWJH-UHFFFAOYSA-N
Compound name
3-(1,3-dipropylpyrrolidin-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.19362 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.20090 161.6
[M+Na]+ 270.18284 172.9
[M+NH4]+ 265.22744 171.2
[M+K]+ 286.15678 165.2
[M-H]- 246.18634 164.5
[M+Na-2H]- 268.16829 168.7
[M]+ 247.19307 164.1
[M]- 247.19417 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.