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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.10805 143.8
[M+Na]+ 242.08999 152.0
[M-H]- 218.09349 145.9
[M+NH4]+ 237.13459 162.5
[M+K]+ 258.06393 149.2
[M+H-H2O]+ 202.09803 135.5
[M+HCOO]- 264.09897 161.9
[M+CH3COO]- 278.11462 155.9
[M+Na-2H]- 240.07544 153.1
[M]+ 219.10022 142.9
[M]- 219.10132 142.9
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.