CID 23320078

1649999-70-1

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

CC(C)N1CCCC1C(=O)O

InChI

InChI=1S/C8H15NO2/c1-6(2)9-5-3-4-7(9)8(10)11/h6-7H,3-5H2,1-2H3,(H,10,11)

InChIKey

CKPAOPWAVKSUPQ-UHFFFAOYSA-N

Compound name

1-propan-2-ylpyrrolidine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 252
Patents: 157.11028 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]+	158.117556	135.9
[M+Na]+	180.099498	141.8
[M-H]-	156.103004	136.5
[M+NH4]+	175.144103	156.5
[M+K]+	196.073438	141.2
[M+H-H2O]+	140.107540	130.3
[M+HCOO]-	202.108481	154.4
[M+CH3COO]-	216.124131	175.1
[M+Na-2H]-	178.084946	136.6
[M]+	157.10973142	133.1
[M]-	157.11082858	133.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe