CID 5753108

Nsc663947

Structural Information

Molecular Formula
C6H8N4O
SMILES
C1CC2=NON=C2/C(=N\N)/C1
InChI
InChI=1S/C6H8N4O/c7-8-4-2-1-3-5-6(4)10-11-9-5/h1-3,7H2/b8-4-
InChIKey
CDXKNGZCYQAXOI-YWEYNIOJSA-N
Compound name
(Z)-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-ylidenehydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.06981 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.07709 127.4
[M+Na]+ 175.05903 135.5
[M-H]- 151.06253 130.7
[M+NH4]+ 170.10363 147.2
[M+K]+ 191.03297 135.1
[M+H-H2O]+ 135.06707 119.9
[M+HCOO]- 197.06801 150.6
[M+CH3COO]- 211.08366 141.1
[M+Na-2H]- 173.04448 136.2
[M]+ 152.06926 125.1
[M]- 152.07036 125.1
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

No patent data available for this compound.