CID 18379289

2-methyl-2-(piperidin-2-yl)propanoic acid hydrobromide

Structural Information

Molecular Formula

C₉H₁₇NO₂

SMILES

CC(C)(C1CCCCN1)C(=O)O

InChI

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

InChIKey

OKBPZSIXSHODKJ-UHFFFAOYSA-N

Compound name

2-methyl-2-piperidin-2-ylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 171.12593 Da
Monoisotopic Mass: -1.1
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	140.4
[M+Na]+	194.11515	144.3
[M-H]-	170.11865	138.9
[M+NH4]+	189.15975	157.7
[M+K]+	210.08909	142.5
[M+H-H2O]+	154.12319	135.0
[M+HCOO]-	216.12413	154.4
[M+CH3COO]-	230.13978	174.1
[M+Na-2H]-	192.10060	144.2
[M]+	171.12538	133.9
[M]-	171.12648	133.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe