CID 135482632

18705-39-0

Structural Information

Molecular Formula
C8H8N2O2
SMILES
C1=CC(=CC=C1/C=N/O)/C=N/O
InChI
InChI=1S/C8H8N2O2/c11-9-5-7-1-2-8(4-3-7)6-10-12/h1-6,11-12H/b9-5+,10-6+
InChIKey
UFJKQCPYFKAUEO-NXZHAISVSA-N
Compound name
(NE)-N-[[4-[(E)-hydroxyiminomethyl]phenyl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

30
Patents

164.05858 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.06586 130.9
[M+Na]+ 187.04780 138.6
[M-H]- 163.05130 134.9
[M+NH4]+ 182.09240 151.1
[M+K]+ 203.02174 136.6
[M+H-H2O]+ 147.05584 124.6
[M+HCOO]- 209.05678 158.7
[M+CH3COO]- 223.07243 180.2
[M+Na-2H]- 185.03325 139.5
[M]+ 164.05803 130.6
[M]- 164.05913 130.6
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