CID 9578390

Brn 0400348

Structural Information

Molecular Formula
C10H12N4O2
SMILES
C/C=C(\C)/C=N/NC1=NC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C10H12N4O2/c1-3-8(2)6-12-13-10-5-4-9(7-11-10)14(15)16/h3-7H,1-2H3,(H,11,13)/b8-3+,12-6+
InChIKey
XGZWMLBCQAUOQB-YSVFXRPESA-N
Compound name
N-[(E)-[(E)-2-methylbut-2-enylidene]amino]-5-nitropyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.09602 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.10330 146.6
[M+Na]+ 243.08524 152.4
[M-H]- 219.08874 150.2
[M+NH4]+ 238.12984 162.8
[M+K]+ 259.05918 146.4
[M+H-H2O]+ 203.09328 143.3
[M+HCOO]- 265.09422 173.6
[M+CH3COO]- 279.10987 189.1
[M+Na-2H]- 241.07069 154.7
[M]+ 220.09547 144.6
[M]- 220.09657 144.6
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.