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

44
Patents

147.07965 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.08693 127.8
[M+Na]+ 170.06887 140.2
[M-H]- 146.07237 129.4
[M+NH4]+ 165.11347 148.7
[M+K]+ 186.04281 137.3
[M+H-H2O]+ 130.07691 120.5
[M+HCOO]- 192.07785 150.9
[M+CH3COO]- 206.09350 142.7
[M+Na-2H]- 168.05432 136.6
[M]+ 147.07910 130.7
[M]- 147.08020 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