CID 519874

2,2,5,5-tetramethyl-3-carboxypyrrolidinooxy

Structural Information

Molecular Formula

C₉H₁₆NO₃

SMILES

CC1(CC(C(N1[O])(C)C)C(=O)O)C

InChI

InChI=1S/C9H16NO3/c1-8(2)5-6(7(11)12)9(3,4)10(8)13/h6H,5H2,1-4H3,(H,11,12)

InChIKey

GEPIUTWNBHBHIO-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 34
References: 31
Patents: 186.11302 Da
Monoisotopic Mass: -1.6
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]+	187.12030	140.0
[M+Na]+	209.10224	148.9
[M+NH4]+	204.14684	149.4
[M+K]+	225.07618	143.8
[M-H]-	185.10574	138.9
[M+Na-2H]-	207.08769	144.9
[M]+	186.11247	140.9
[M]-	186.11357	140.9

Literature stripe

literature stripe

Patent stripe

patents stripe