CID 102884

Tert-butyl l-prolinate

Structural Information

Molecular Formula

C₉H₁₇NO₂

SMILES

CC(C)(C)OC(=O)C1CCCN1

InChI

InChI=1S/C9H17NO2/c1-9(2,3)12-8(11)7-5-4-6-10-7/h7,10H,4-6H2,1-3H3

InChIKey

XJJBXZIKXFOMLP-UHFFFAOYSA-N

Compound name

tert-butyl pyrrolidine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 2982
Patents: 171.12593 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]+	172.133206	141.1
[M+Na]+	194.115148	146.5
[M-H]-	170.118654	141.4
[M+NH4]+	189.159753	161.2
[M+K]+	210.089088	145.7
[M+H-H2O]+	154.123190	135.7
[M+HCOO]-	216.124131	158.8
[M+CH3COO]-	230.139781	175.1
[M+Na-2H]-	192.100596	144.0
[M]+	171.12538142	138.4
[M]-	171.12647858	138.4

Literature stripe

literature stripe

Patent stripe

patents stripe