CID 3051405

3-(2,5-xylyl)-3-pyrrolidinol hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₇NO

SMILES

CC1=CC(=C(C=C1)C)C2(CCNC2)O

InChI

InChI=1S/C12H17NO/c1-9-3-4-10(2)11(7-9)12(14)5-6-13-8-12/h3-4,7,13-14H,5-6,8H2,1-2H3

InChIKey

HUNIIQJAAJCFHI-UHFFFAOYSA-N

Compound name

3-(2,5-dimethylphenyl)pyrrolidin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 191.13101 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	192.13829	144.1
[M+Na]+	214.12023	155.7
[M+NH4]+	209.16483	154.0
[M+K]+	230.09417	149.2
[M-H]-	190.12373	146.6
[M+Na-2H]-	212.10568	151.6
[M]+	191.13046	146.5
[M]-	191.13156	146.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe