CID 79230

1-pyrrolidinecarboxylic acid isopropyl ester

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

CC(C)OC(=O)N1CCCC1

InChI

InChI=1S/C8H15NO2/c1-7(2)11-8(10)9-5-3-4-6-9/h7H,3-6H2,1-2H3

InChIKey

XQEPLYLEYBCDLB-UHFFFAOYSA-N

Compound name

propan-2-yl pyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 118
Patents: 157.11028 Da
Monoisotopic Mass: 1.4
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	136.4
[M+Na]+	180.099498	141.9
[M-H]-	156.103004	138.0
[M+NH4]+	175.144103	157.5
[M+K]+	196.073438	142.3
[M+H-H2O]+	140.107540	130.2
[M+HCOO]-	202.108481	156.4
[M+CH3COO]-	216.124131	175.3
[M+Na-2H]-	178.084946	138.2
[M]+	157.10973142	135.0
[M]-	157.11082858	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe