CID 3426511

26179-83-9

Structural Information

Molecular Formula

C₁₁H₁₃N₃O

SMILES

CC(C)(C)C(=O)N1C2=CC=CC=C2N=N1

InChI

InChI=1S/C11H13N3O/c1-11(2,3)10(15)14-9-7-5-4-6-8(9)12-13-14/h4-7H,1-3H3

InChIKey

MQALRDFLWYVZQE-UHFFFAOYSA-N

Compound name

1-(benzotriazol-1-yl)-2,2-dimethylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 203.10587 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]+	204.11315	144.1
[M+Na]+	226.09509	157.2
[M+NH4]+	221.13969	151.4
[M+K]+	242.06903	153.7
[M-H]-	202.09859	143.8
[M+Na-2H]-	224.08054	150.3
[M]+	203.10532	145.9
[M]-	203.10642	145.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe