CID 63938441

Rac-(3r,4r)-4-(2,2-dimethylpropyl)pyrrolidine-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₉NO₂

SMILES

CC(C)(C)CC1CNCC1C(=O)O

InChI

InChI=1S/C10H19NO2/c1-10(2,3)4-7-5-11-6-8(7)9(12)13/h7-8,11H,4-6H2,1-3H3,(H,12,13)

InChIKey

XAYWRGAYKROIFI-UHFFFAOYSA-N

Compound name

4-(2,2-dimethylpropyl)pyrrolidine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 185.14159 Da
Monoisotopic Mass: -0.8
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]+	186.148866	145.6
[M+Na]+	208.130808	150.9
[M-H]-	184.134314	144.6
[M+NH4]+	203.175413	164.6
[M+K]+	224.104748	148.9
[M+H-H2O]+	168.138850	140.5
[M+HCOO]-	230.139791	161.3
[M+CH3COO]-	244.155441	177.3
[M+Na-2H]-	206.116256	146.8
[M]+	185.14104142	141.7
[M]-	185.14213858	141.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.