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

4
Patents

305.23547 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.24275 178.7
[M+Na]+ 328.22469 182.0
[M-H]- 304.22819 181.3
[M+NH4]+ 323.26929 193.3
[M+K]+ 344.19863 178.0
[M+H-H2O]+ 288.23273 170.4
[M+HCOO]- 350.23367 195.9
[M+CH3COO]- 364.24932 204.7
[M+Na-2H]- 326.21014 176.5
[M]+ 305.23492 179.1
[M]- 305.23602 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