CID 77849

4184-79-6

Structural Information

Molecular Formula
C8H9N3
SMILES
CC1=CC2=NNN=C2C=C1C
InChI
InChI=1S/C8H9N3/c1-5-3-7-8(4-6(5)2)10-11-9-7/h3-4H,1-2H3,(H,9,10,11)
InChIKey
MVPKIPGHRNIOPT-UHFFFAOYSA-N
Compound name
5,6-dimethyl-2H-benzotriazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

1961
Patents

147.07965 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.08693 128.6
[M+Na]+ 170.06887 140.6
[M-H]- 146.07237 128.8
[M+NH4]+ 165.11347 148.8
[M+K]+ 186.04281 136.7
[M+H-H2O]+ 130.07691 121.6
[M+HCOO]- 192.07785 150.2
[M+CH3COO]- 206.09350 142.7
[M+Na-2H]- 168.05432 136.9
[M]+ 147.07910 129.7
[M]- 147.08020 129.7
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