CID 3054371

2-(1-isopropyl-2-pyrrolidinyl)-1-(3-methoxyphenyl)ethanol

Structural Information

Molecular Formula
C16H25NO2
SMILES
CC(C)N1CCCC1CC(C2=CC(=CC=C2)OC)O
InChI
InChI=1S/C16H25NO2/c1-12(2)17-9-5-7-14(17)11-16(18)13-6-4-8-15(10-13)19-3/h4,6,8,10,12,14,16,18H,5,7,9,11H2,1-3H3
InChIKey
MVYCHYSNPKAXLV-UHFFFAOYSA-N
Compound name
1-(3-methoxyphenyl)-2-(1-propan-2-ylpyrrolidin-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

263.18854 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.19582 165.3
[M+Na]+ 286.17776 169.6
[M-H]- 262.18126 168.6
[M+NH4]+ 281.22236 181.5
[M+K]+ 302.15170 166.9
[M+H-H2O]+ 246.18580 157.7
[M+HCOO]- 308.18674 182.5
[M+CH3COO]- 322.20239 196.7
[M+Na-2H]- 284.16321 163.4
[M]+ 263.18799 164.0
[M]- 263.18909 164.0
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

patents stripe