CID 21921989

1,5-diazobicyclo[4.3.0]non-5-ene

Structural Information

Molecular Formula
C9H12N2
SMILES
C1CC2=C3CCCC2(C1)[N+]3=[N-]
InChI
InChI=1S/C9H12N2/c10-11-8-4-2-6-9(11)5-1-3-7(8)9/h1-6H2
InChIKey
HHCBYVLNFWNEJX-UHFFFAOYSA-N
Compound name
10-azoniatricyclo[4.3.1.01,5]dec-5-en-10-ylideneazanide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

447
Patents

148.10005 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.107326 126.3
[M+Na]+ 171.089268 132.2
[M-H]- 147.092774 130.4
[M+NH4]+ 166.133873 144.6
[M+K]+ 187.063208 128.1
[M+H-H2O]+ 131.097310 120.3
[M+HCOO]- 193.098251 146.5
[M+CH3COO]- 207.113901 174.7
[M+Na-2H]- 169.074716 135.3
[M]+ 148.09950142 128.9
[M]- 148.10059858 128.9
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