CID 545926

177750-73-1

Structural Information

Molecular Formula

C₁₀H₁₈INO₂

SMILES

CC(C)(C)OC(=O)N1CCCC1CI

InChI

InChI=1S/C10H18INO2/c1-10(2,3)14-9(13)12-6-4-5-8(12)7-11/h8H,4-7H2,1-3H3

InChIKey

QCETXLFSWJGTAZ-UHFFFAOYSA-N

Compound name

tert-butyl 2-(iodomethyl)pyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 63
Patents: 311.03824 Da
Monoisotopic Mass: 2.8
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]+	312.04552	156.5
[M+Na]+	334.02746	155.7
[M-H]-	310.03096	151.5
[M+NH4]+	329.07206	171.4
[M+K]+	350.00140	160.9
[M+H-H2O]+	294.03550	147.4
[M+HCOO]-	356.03644	170.3
[M+CH3COO]-	370.05209	192.4
[M+Na-2H]-	332.01291	146.5
[M]+	311.03769	153.9
[M]-	311.03879	153.9

Literature stripe

literature stripe

Patent stripe

patents stripe