CID 5324568

1193-92-6

Structural Information

Molecular Formula
C6H6N2O
SMILES
C1=CC(=CN=C1)/C=N/O
InChI
InChI=1S/C6H6N2O/c9-8-5-6-2-1-3-7-4-6/h1-5,9H/b8-5+
InChIKey
YBKOPFQCLSPTPV-VMPITWQZSA-N
Compound name
(NE)-N-(pyridin-3-ylmethylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

3
References

444
Patents

122.04801 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.055286 120.5
[M+Na]+ 145.037228 128.8
[M-H]- 121.040734 123.1
[M+NH4]+ 140.081833 141.2
[M+K]+ 161.011168 127.4
[M+H-H2O]+ 105.045270 114.2
[M+HCOO]- 167.046211 146.3
[M+CH3COO]- 181.061861 170.1
[M+Na-2H]- 143.022676 130.9
[M]+ 122.04746142 119.8
[M]- 122.04855858 119.8
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