CID 135544980

1,4-diamidoximobenzene

Structural Information

Molecular Formula
C8H10N4O2
SMILES
C1=CC(=CC=C1/C(=N/O)/N)/C(=N/O)/N
InChI
InChI=1S/C8H10N4O2/c9-7(11-13)5-1-2-6(4-3-5)8(10)12-14/h1-4,13-14H,(H2,9,11)(H2,10,12)
InChIKey
GRWNTBQZUUOOLQ-UHFFFAOYSA-N
Compound name
1-N',4-N'-dihydroxybenzene-1,4-dicarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

194.08037 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.08765 139.8
[M+Na]+ 217.06959 145.2
[M-H]- 193.07309 142.8
[M+NH4]+ 212.11419 157.2
[M+K]+ 233.04353 143.8
[M+H-H2O]+ 177.07763 132.6
[M+HCOO]- 239.07857 166.3
[M+CH3COO]- 253.09422 191.6
[M+Na-2H]- 215.05504 144.3
[M]+ 194.07982 134.6
[M]- 194.08092 134.6
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