CID 496135

Nsc680211

Structural Information

Molecular Formula

C₄H₁₁BBrNO₂

SMILES

[B-](=C(O)O)([N+](C)(C)C)Br

InChI

InChI=1S/C4H11BBrNO2/c1-7(2,3)5(6)4(8)9/h8-9H,1-3H3

InChIKey

WGYUNHWOEJFBOW-UHFFFAOYSA-N

Compound name

bromo-(dihydroxymethylidene)-(trimethylazaniumyl)boranuide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 195.00662 Da
Monoisotopic Mass: None
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]+	196.01390	134.9
[M+Na]+	217.99584	144.7
[M-H]-	193.99934	135.6
[M+NH4]+	213.04044	156.3
[M+K]+	233.96978	129.6
[M+H-H2O]+	178.00388	140.6
[M+HCOO]-	240.00482	152.3
[M+CH3COO]-	254.02047	170.9
[M+Na-2H]-	215.98129	142.5
[M]+	195.00607	148.3
[M]-	195.00717	148.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.