CID 16244015

1-(cyclopropylmethyl)piperidine-4-carboxylic acid hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₇NO₂

SMILES

C1CC1CN2CCC(CC2)C(=O)O

InChI

InChI=1S/C10H17NO2/c12-10(13)9-3-5-11(6-4-9)7-8-1-2-8/h8-9H,1-7H2,(H,12,13)

InChIKey

QKDHYIZFSYQRHO-UHFFFAOYSA-N

Compound name

1-(cyclopropylmethyl)piperidine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 75
Patents: 183.12593 Da
Monoisotopic Mass: -1.3
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	143.6
[M+Na]+	206.115148	150.0
[M-H]-	182.118654	147.6
[M+NH4]+	201.159753	156.5
[M+K]+	222.089088	147.2
[M+H-H2O]+	166.123190	136.5
[M+HCOO]-	228.124131	160.9
[M+CH3COO]-	242.139781	182.5
[M+Na-2H]-	204.100596	146.3
[M]+	183.12538142	141.5
[M]-	183.12647858	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe