CID 13179983

2-bromoethyl n,n-dimethylcarbamate

Structural Information

Molecular Formula

C₅H₁₀BrNO₂

SMILES

CN(C)C(=O)OCCBr

InChI

InChI=1S/C5H10BrNO2/c1-7(2)5(8)9-4-3-6/h3-4H2,1-2H3

InChIKey

WAORRHZAFUYCTO-UHFFFAOYSA-N

Compound name

2-bromoethyl N,N-dimethylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 194.98949 Da
Monoisotopic Mass: 1.3
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]+	195.99677	133.4
[M+Na]+	217.97871	143.8
[M-H]-	193.98221	137.9
[M+NH4]+	213.02331	156.7
[M+K]+	233.95265	135.7
[M+H-H2O]+	177.98675	133.1
[M+HCOO]-	239.98769	156.0
[M+CH3COO]-	254.00334	185.4
[M+Na-2H]-	215.96416	140.2
[M]+	194.98894	154.2
[M]-	194.99004	154.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe