CID 3057976

74332-85-7

Structural Information

Molecular Formula

C₁₂H₂₃NO

SMILES

CC(C)C(=O)C(C)(C)CN1CCCC1

InChI

InChI=1S/C12H23NO/c1-10(2)11(14)12(3,4)9-13-7-5-6-8-13/h10H,5-9H2,1-4H3

InChIKey

NUXLHTUDXCZONN-UHFFFAOYSA-N

Compound name

2,2,4-trimethyl-1-pyrrolidin-1-ylpentan-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 197.17796 Da
Monoisotopic Mass: 2.4
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]+	198.18524	150.4
[M+Na]+	220.16718	154.7
[M-H]-	196.17068	151.7
[M+NH4]+	215.21178	170.1
[M+K]+	236.14112	153.9
[M+H-H2O]+	180.17522	144.5
[M+HCOO]-	242.17616	167.3
[M+CH3COO]-	256.19181	187.0
[M+Na-2H]-	218.15263	151.0
[M]+	197.17741	148.8
[M]-	197.17851	148.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe