CID 98210

Pyrrolidin-3-ol

Structural Information

Molecular Formula

SMILES

C1CNCC1O

InChI

InChI=1S/C4H9NO/c6-4-1-2-5-3-4/h4-6H,1-3H2

InChIKey

JHHZLHWJQPUNKB-UHFFFAOYSA-N

Compound name

pyrrolidin-3-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 9
References: 24728
Patents: 87.06841 Da
Monoisotopic Mass: -0.7
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]+	88.075686	116.7
[M+Na]+	110.05763	123.1
[M-H]-	86.061134	115.8
[M+NH4]+	105.10223	139.2
[M+K]+	126.03157	121.8
[M+H-H2O]+	70.065670	111.5
[M+HCOO]-	132.06661	136.5
[M+CH3COO]-	146.08226	156.4
[M+Na-2H]-	108.04308	122.1
[M]+	87.067861	110.6
[M]-	87.068959	110.6

Literature stripe

literature stripe

Patent stripe

patents stripe