CID 26369578

Schembl21776689

Structural Information

Molecular Formula

C₉H₁₇NO₂

SMILES

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

InChI

InChI=1S/C9H17NO2/c1-6(2)7-4-10-5-8(7)9(11)12-3/h6-8,10H,4-5H2,1-3H3/t7-,8+/m0/s1

InChIKey

HDCVOOMNEULPRD-JGVFFNPUSA-N

Compound name

methyl (3S,4S)-4-propan-2-ylpyrrolidine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 171.12593 Da
Monoisotopic Mass: 1.0
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]+	172.13321	140.5
[M+Na]+	194.11515	148.5
[M+NH4]+	189.15975	147.4
[M+K]+	210.08909	146.4
[M-H]-	170.11865	139.5
[M+Na-2H]-	192.10060	142.3
[M]+	171.12538	140.9
[M]-	171.12648	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe