CID 78555

4838-65-7

Structural Information

Molecular Formula

C₁₀H₁₉NO

SMILES

CCCCCCN1CCCC1=O

InChI

InChI=1S/C10H19NO/c1-2-3-4-5-8-11-9-6-7-10(11)12/h2-9H2,1H3

InChIKey

BAWUFGWWCWMUNU-UHFFFAOYSA-N

Compound name

1-hexylpyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2349
Patents: 169.14667 Da
Monoisotopic Mass: 2.1
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]+	170.15395	140.7
[M+Na]+	192.13589	146.7
[M-H]-	168.13939	142.1
[M+NH4]+	187.18049	161.7
[M+K]+	208.10983	145.2
[M+H-H2O]+	152.14393	134.4
[M+HCOO]-	214.14487	161.8
[M+CH3COO]-	228.16052	180.2
[M+Na-2H]-	190.12134	143.3
[M]+	169.14612	140.4
[M]-	169.14722	140.4

Literature stripe

literature stripe

Patent stripe

patents stripe