CID 135521393

Nsc663949

Structural Information

Molecular Formula
C6H7N5O2
SMILES
C1C/C(=N\O)/C(=N\N)/C2=NON=C21
InChI
InChI=1S/C6H7N5O2/c7-8-5-3(9-12)1-2-4-6(5)11-13-10-4/h12H,1-2,7H2/b8-5+,9-3+
InChIKey
DDOGFELTDZPGFS-MXJIWBSISA-N
Compound name
(NE)-N-[(4E)-4-hydrazinylidene-6,7-dihydro-2,1,3-benzoxadiazol-5-ylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.05997 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.06725 133.0
[M+Na]+ 204.04919 141.4
[M-H]- 180.05269 136.7
[M+NH4]+ 199.09379 151.4
[M+K]+ 220.02313 140.8
[M+H-H2O]+ 164.05723 125.2
[M+HCOO]- 226.05817 157.5
[M+CH3COO]- 240.07382 186.2
[M+Na-2H]- 202.03464 141.6
[M]+ 181.05942 131.0
[M]- 181.06052 131.0
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.