CID 3054356

71157-71-6

Structural Information

Molecular Formula
C19H31NO2
SMILES
CCCCCCN1CCCC1CC(C2=CC(=CC=C2)OC)O
InChI
InChI=1S/C19H31NO2/c1-3-4-5-6-12-20-13-8-10-17(20)15-19(21)16-9-7-11-18(14-16)22-2/h7,9,11,14,17,19,21H,3-6,8,10,12-13,15H2,1-2H3
InChIKey
UHHINQDBFJMVLU-UHFFFAOYSA-N
Compound name
2-(1-hexylpyrrolidin-2-yl)-1-(3-methoxyphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

305.23547 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.242746 178.7
[M+Na]+ 328.224688 182.0
[M-H]- 304.228194 181.3
[M+NH4]+ 323.269293 193.3
[M+K]+ 344.198628 178.0
[M+H-H2O]+ 288.232730 170.4
[M+HCOO]- 350.233671 195.9
[M+CH3COO]- 364.249321 204.7
[M+Na-2H]- 326.210136 176.5
[M]+ 305.23492142 179.1
[M]- 305.23601858 179.1
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

patents stripe