CID 30905

Methyl pyrrolidine-1-butyrate

Structural Information

Molecular Formula

C₉H₁₇NO₂

SMILES

COC(=O)CCCN1CCCC1

InChI

InChI=1S/C9H17NO2/c1-12-9(11)5-4-8-10-6-2-3-7-10/h2-8H2,1H3

InChIKey

YUWSENDKBFKEMK-UHFFFAOYSA-N

Compound name

methyl 4-pyrrolidin-1-ylbutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 171.12593 Da
Monoisotopic Mass: 0.9
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]+	172.13321	140.6
[M+Na]+	194.11515	149.2
[M+NH4]+	189.15975	148.0
[M+K]+	210.08909	145.6
[M-H]-	170.11865	140.3
[M+Na-2H]-	192.10060	143.6
[M]+	171.12538	141.3
[M]-	171.12648	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe