CID 3054352

2-pyrrolidineethanol, 1-methyl-alpha-(3-methylphenyl)-, (r*,s*)-

Structural Information

Molecular Formula
C14H21NO
SMILES
CC1=CC(=CC=C1)[C@@H](C[C@@H]2CCCN2C)O
InChI
InChI=1S/C14H21NO/c1-11-5-3-6-12(9-11)14(16)10-13-7-4-8-15(13)2/h3,5-6,9,13-14,16H,4,7-8,10H2,1-2H3/t13-,14+/m0/s1
InChIKey
HFJYNBGNRHOTLA-UONOGXRCSA-N
Compound name
(1R)-1-(3-methylphenyl)-2-[(2S)-1-methylpyrrolidin-2-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

219.16231 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.16959 153.2
[M+Na]+ 242.15153 164.4
[M+NH4]+ 237.19613 161.6
[M+K]+ 258.12547 159.6
[M-H]- 218.15503 156.0
[M+Na-2H]- 240.13698 158.8
[M]+ 219.16176 155.4
[M]- 219.16286 155.4
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