CID 135705398

Chembl147474

Structural Information

Molecular Formula

C₁₀H₁₄N₃O₂

SMILES

CN1C=C[N+](=C1/C=N/O)COCC=C=C

InChI

InChI=1S/C10H13N3O2/c1-3-4-7-15-9-13-6-5-12(2)10(13)8-11-14/h4-6,8H,1,7,9H2,2H3/p+1

InChIKey

OKMAYVNEWDFFRA-UHFFFAOYSA-O

Compound name

None

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 208.1086 Da
Monoisotopic Mass: 0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	209.11588	145.6
[M+Na]+	231.09782	157.6
[M+NH4]+	226.14242	152.3
[M+K]+	247.07176	154.2
[M-H]-	207.10132	146.6
[M+Na-2H]-	229.08327	150.3
[M]+	208.10805	147.5
[M]-	208.10915	147.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.