CID 11901010

19634-60-7

Structural Information

Molecular Formula

C₁₁H₁₃N₃O₂

SMILES

C1[C@H]2CN(C[C@@H]1C3=CC=CC(=O)N3C2)N=O

InChI

InChI=1S/C11H13N3O2/c15-11-3-1-2-10-9-4-8(6-14(10)11)5-13(7-9)12-16/h1-3,8-9H,4-7H2/t8-,9+/m0/s1

InChIKey

VIMLBVWHEGYDNW-DTWKUNHWSA-N

Compound name

(1R,9R)-11-nitroso-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 219.10077 Da
Monoisotopic Mass: 0.6
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]+	220.108046	143.8
[M+Na]+	242.089988	152.0
[M-H]-	218.093494	145.9
[M+NH4]+	237.134593	162.5
[M+K]+	258.063928	149.2
[M+H-H2O]+	202.098030	135.5
[M+HCOO]-	264.098971	161.9
[M+CH3COO]-	278.114621	155.9
[M+Na-2H]-	240.075436	153.1
[M]+	219.10022142	142.9
[M]-	219.10131858	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.