CID 11846744

35167-75-0

Structural Information

Molecular Formula

C₉H₁₇NO₂

SMILES

CC[C@H]1CNCC[C@H]1CC(=O)O

InChI

InChI=1S/C9H17NO2/c1-2-7-6-10-4-3-8(7)5-9(11)12/h7-8,10H,2-6H2,1H3,(H,11,12)/t7-,8-/m0/s1

InChIKey

KADOSLYSZOBSFM-YUMQZZPRSA-N

Compound name

2-[(3R,4S)-3-ethylpiperidin-4-yl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 171.12593 Da
Monoisotopic Mass: -1.4
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]+	172.133206	140.5
[M+Na]+	194.115148	144.8
[M-H]-	170.118654	139.0
[M+NH4]+	189.159753	157.9
[M+K]+	210.089088	142.6
[M+H-H2O]+	154.123190	134.5
[M+HCOO]-	216.124131	155.9
[M+CH3COO]-	230.139781	175.0
[M+Na-2H]-	192.100596	142.7
[M]+	171.12538142	134.7
[M]-	171.12647858	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe