CID 130500

Hbtu

Structural Information

Molecular Formula
C11H16N5O
SMILES
CN(C)C(=[N+](C)C)ON1C2=CC=CC=C2N=N1
InChI
InChI=1S/C11H16N5O/c1-14(2)11(15(3)4)17-16-10-8-6-5-7-9(10)12-13-16/h5-8H,1-4H3/q+1
InChIKey
CLZISMQKJZCZDN-UHFFFAOYSA-N
Compound name
[benzotriazol-1-yloxy(dimethylamino)methylidene]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

32
References

70363
Patents

234.13548 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.14276 151.2
[M+Na]+ 257.12470 159.5
[M-H]- 233.12820 155.5
[M+NH4]+ 252.16930 168.5
[M+K]+ 273.09864 153.5
[M+H-H2O]+ 217.13274 144.7
[M+HCOO]- 279.13368 175.5
[M+CH3COO]- 293.14933 193.4
[M+Na-2H]- 255.11015 160.4
[M]+ 234.13493 154.2
[M]- 234.13603 154.2
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