CID 31496

22713-35-5

Structural Information

Molecular Formula

C₈H₁₀N₃

SMILES

CN1C2=CC=CC=C2[N+](=N1)C

InChI

InChI=1S/C8H10N3/c1-10-7-5-3-4-6-8(7)11(2)9-10/h3-6H,1-2H3/q+1

InChIKey

QQDVFOZMSGQRBG-UHFFFAOYSA-N

Compound name

1,3-dimethylbenzotriazol-3-ium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 148.08748 Da
Monoisotopic Mass: 1.8
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]+	149.09476	128.2
[M+Na]+	171.07670	140.4
[M-H]-	147.08020	130.2
[M+NH4]+	166.12130	148.8
[M+K]+	187.05064	132.2
[M+H-H2O]+	131.08474	123.7
[M+HCOO]-	193.08568	151.0
[M+CH3COO]-	207.10133	169.6
[M+Na-2H]-	169.06215	139.5
[M]+	148.08693	129.8
[M]-	148.08803	129.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe