CID 3250344

39968-13-3

Structural Information

Molecular Formula

C₉H₁₀N₄O₂

SMILES

CN(C)C(=O)ON1C2=CC=CC=C2N=N1

InChI

InChI=1S/C9H10N4O2/c1-12(2)9(14)15-13-8-6-4-3-5-7(8)10-11-13/h3-6H,1-2H3

InChIKey

ZGQHOOMVABRSSX-UHFFFAOYSA-N

Compound name

benzotriazol-1-yl N,N-dimethylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 206.08037 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]+	207.08765	141.4
[M+Na]+	229.06959	153.5
[M+NH4]+	224.11419	148.3
[M+K]+	245.04353	150.8
[M-H]-	205.07309	141.8
[M+Na-2H]-	227.05504	147.6
[M]+	206.07982	142.9
[M]-	206.08092	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe