CID 14835678

2,5-dimethyl-2h-benzo[d][1,2,3]triazole

Structural Information

Molecular Formula
C8H9N3
SMILES
CC1=CC2=NN(N=C2C=C1)C
InChI
InChI=1S/C8H9N3/c1-6-3-4-7-8(5-6)10-11(2)9-7/h3-5H,1-2H3
InChIKey
XFMKHBNWJKZGDB-UHFFFAOYSA-N
Compound name
2,5-dimethylbenzotriazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

45
Patents

147.07965 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.086926 127.8
[M+Na]+ 170.068868 140.2
[M-H]- 146.072374 129.4
[M+NH4]+ 165.113473 148.7
[M+K]+ 186.042808 137.3
[M+H-H2O]+ 130.076910 120.5
[M+HCOO]- 192.077851 150.9
[M+CH3COO]- 206.093501 142.7
[M+Na-2H]- 168.054316 136.6
[M]+ 147.07910142 130.7
[M]- 147.08019858 130.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe