CID 11301181

Benzyl (2-iodoethyl)carbamate

Structural Information

Molecular Formula

C₁₀H₁₂INO₂

SMILES

C1=CC=C(C=C1)COC(=O)NCCI

InChI

InChI=1S/C10H12INO2/c11-6-7-12-10(13)14-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)

InChIKey

BBNJIQPJPQOWDM-UHFFFAOYSA-N

Compound name

benzyl N-(2-iodoethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 304.99127 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]+	305.99855	157.5
[M+Na]+	327.98049	156.3
[M-H]-	303.98399	153.6
[M+NH4]+	323.02509	171.2
[M+K]+	343.95443	160.4
[M+H-H2O]+	287.98853	147.1
[M+HCOO]-	349.98947	176.7
[M+CH3COO]-	364.00512	193.0
[M+Na-2H]-	325.96594	150.9
[M]+	304.99072	155.6
[M]-	304.99182	155.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe