CID 332306

30990-64-8

Structural Information

Molecular Formula
C8H10N2O2Se
SMILES
CC1(CC2=NO[Se]3=C2C(=NO3)C1)C
InChI
InChI=1S/C8H10N2O2Se/c1-8(2)3-5-7-6(4-8)10-12-13(7)11-9-5/h3-4H2,1-2H3
InChIKey
GYXHLRQHDONJKQ-UHFFFAOYSA-N
Compound name
9,9-dimethyl-3,5-dioxa-4lambda4-selena-2,6-diazatricyclo[5.3.1.04,11]undeca-1,4(11),6-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.99075 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.99803 145.2
[M+Na]+ 268.97997 155.7
[M-H]- 244.98347 148.7
[M+NH4]+ 264.02457 167.6
[M+K]+ 284.95391 155.6
[M+H-H2O]+ 228.98801 139.3
[M+HCOO]- 290.98895 163.5
[M+CH3COO]- 305.00460 159.0
[M+Na-2H]- 266.96542 152.0
[M]+ 245.99020 149.4
[M]- 245.99130 149.4
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.