CID 3076614

1-(2-(2-hydroxy-2-phenylethoxy)ethyl)-2-pyrrolidinemethanol

Structural Information

Molecular Formula
C15H23NO3
SMILES
C1CC(N(C1)CCOCC(C2=CC=CC=C2)O)CO
InChI
InChI=1S/C15H23NO3/c17-11-14-7-4-8-16(14)9-10-19-12-15(18)13-5-2-1-3-6-13/h1-3,5-6,14-15,17-18H,4,7-12H2
InChIKey
YKQHXGBABSNCNK-UHFFFAOYSA-N
Compound name
2-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1678 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.17508 163.8
[M+Na]+ 288.15702 167.3
[M-H]- 264.16052 165.3
[M+NH4]+ 283.20162 178.9
[M+K]+ 304.13096 164.0
[M+H-H2O]+ 248.16506 156.0
[M+HCOO]- 310.16600 181.0
[M+CH3COO]- 324.18165 191.2
[M+Na-2H]- 286.14247 164.0
[M]+ 265.16725 161.9
[M]- 265.16835 161.9
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.