CID 2762215

Rac-(3r,4r)-4-(propan-2-yl)pyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

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

InChI

InChI=1S/C8H15NO2/c1-5(2)6-3-9-4-7(6)8(10)11/h5-7,9H,3-4H2,1-2H3,(H,10,11)/t6-,7+/m0/s1

InChIKey

NQULSPPHDFWDLL-NKWVEPMBSA-N

Compound name

(3S,4S)-4-propan-2-ylpyrrolidine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 100
Patents: 157.11028 Da
Monoisotopic Mass: -1.6
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]+	158.117556	136.9
[M+Na]+	180.099498	142.3
[M-H]-	156.103004	136.0
[M+NH4]+	175.144103	156.7
[M+K]+	196.073438	140.8
[M+H-H2O]+	140.107540	131.4
[M+HCOO]-	202.108481	153.8
[M+CH3COO]-	216.124131	172.6
[M+Na-2H]-	178.084946	137.0
[M]+	157.10973142	132.1
[M]-	157.11082858	132.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe