CID 20372067

1-tert-butyl-4-(hydroxymethyl)pyrrolidin-2-one

Structural Information

Molecular Formula

C₉H₁₇NO₂

SMILES

CC(C)(C)N1CC(CC1=O)CO

InChI

InChI=1S/C9H17NO2/c1-9(2,3)10-5-7(6-11)4-8(10)12/h7,11H,4-6H2,1-3H3

InChIKey

PNKQVVLPNVNTFP-UHFFFAOYSA-N

Compound name

1-tert-butyl-4-(hydroxymethyl)pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 171.12593 Da
Monoisotopic Mass: 0.0
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	139.3
[M+Na]+	194.11515	148.1
[M+NH4]+	189.15975	146.2
[M+K]+	210.08909	145.8
[M-H]-	170.11865	138.2
[M+Na-2H]-	192.10060	141.6
[M]+	171.12538	139.9
[M]-	171.12648	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe