CID 130702831

2138027-75-3

Structural Information

Molecular Formula

C₁₀H₁₇NO₂

SMILES

CC1CC2CCC(CN2C1)C(=O)O

InChI

InChI=1S/C10H17NO2/c1-7-4-9-3-2-8(10(12)13)6-11(9)5-7/h7-9H,2-6H2,1H3,(H,12,13)

InChIKey

MTPXNKUZUJZCAS-UHFFFAOYSA-N

Compound name

2-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine-6-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 183.12593 Da
Monoisotopic Mass: -1.0
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]+	184.133206	142.2
[M+Na]+	206.115148	147.7
[M-H]-	182.118654	143.1
[M+NH4]+	201.159753	162.8
[M+K]+	222.089088	145.6
[M+H-H2O]+	166.123190	136.5
[M+HCOO]-	228.124131	157.9
[M+CH3COO]-	242.139781	179.6
[M+Na-2H]-	204.100596	143.3
[M]+	183.12538142	137.1
[M]-	183.12647858	137.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.