CID 200289

1505-24-4

Structural Information

Molecular Formula

C₁₅H₂₃NO

SMILES

CCCC1(CC(N(C1)C)C)C2=CC(=CC=C2)O

InChI

InChI=1S/C15H23NO/c1-4-8-15(10-12(2)16(3)11-15)13-6-5-7-14(17)9-13/h5-7,9,12,17H,4,8,10-11H2,1-3H3

InChIKey

HAFMSXBHPKKSET-UHFFFAOYSA-N

Compound name

3-(1,5-dimethyl-3-propylpyrrolidin-3-yl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 233.17796 Da
Monoisotopic Mass: 3.7
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]+	234.185236	155.4
[M+Na]+	256.167178	162.8
[M-H]-	232.170684	159.5
[M+NH4]+	251.211783	175.6
[M+K]+	272.141118	159.0
[M+H-H2O]+	216.175220	149.0
[M+HCOO]-	278.176161	174.9
[M+CH3COO]-	292.191811	190.6
[M+Na-2H]-	254.152626	157.1
[M]+	233.17741142	154.3
[M]-	233.17850858	154.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe