CID 60321

109439-90-9

Structural Information

Molecular Formula
C8H10N3
SMILES
CN1N=C2C=CC=CC2=[N+]1C
InChI
InChI=1S/C8H10N3/c1-10-8-6-4-3-5-7(8)9-11(10)2/h3-6H,1-2H3/q+1
InChIKey
GAKKJHBMXZTIDY-UHFFFAOYSA-N
Compound name
1,2-dimethylbenzotriazol-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

148.08748 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe