CID 4641409

O-(7-azabenzotriazol-1-yl)-n,n,n',n'-tetramethyluronium tetrafluoroborate

Structural Information

Molecular Formula
C10H15N6O
SMILES
CN(C)C(=[N+](C)C)ON1C2=C(C=CC=N2)N=N1
InChI
InChI=1S/C10H15N6O/c1-14(2)10(15(3)4)17-16-9-8(12-13-16)6-5-7-11-9/h5-7H,1-4H3/q+1
InChIKey
WXIONIWNXBAHRU-UHFFFAOYSA-N
Compound name
[dimethylamino(triazolo[4,5-b]pyridin-3-yloxy)methylidene]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

20422
Patents

235.13074 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.13802 150.3
[M+Na]+ 258.11996 159.0
[M-H]- 234.12346 153.5
[M+NH4]+ 253.16456 166.2
[M+K]+ 274.09390 153.1
[M+H-H2O]+ 218.12800 143.3
[M+HCOO]- 280.12894 173.6
[M+CH3COO]- 294.14459 193.4
[M+Na-2H]- 256.10541 160.3
[M]+ 235.13019 153.5
[M]- 235.13129 153.5
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