CID 11231463

167479-01-8

Structural Information

Molecular Formula

C₈H₁₆INO₂

SMILES

CC(C)(C)OC(=O)NCCCI

InChI

InChI=1S/C8H16INO2/c1-8(2,3)12-7(11)10-6-4-5-9/h4-6H2,1-3H3,(H,10,11)

InChIKey

ORVXNBKOWDNMGB-UHFFFAOYSA-N

Compound name

tert-butyl N-(3-iodopropyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 217
Patents: 285.02258 Da
Monoisotopic Mass: 2.4
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]+	286.02986	151.8
[M+Na]+	308.01180	152.6
[M+NH4]+	303.05640	154.1
[M+K]+	323.98574	151.4
[M-H]-	284.01530	144.2
[M+Na-2H]-	305.99725	141.6
[M]+	285.02203	148.4
[M]-	285.02313	148.4

Literature stripe

literature stripe

Patent stripe

patents stripe