CID 3003349

Hydrobenzoxa-selenazol

Structural Information

Molecular Formula
C8H12N2O2Se
SMILES
CC1(CC2=NO[Se]C2C(=NO)C1)C
InChI
InChI=1S/C8H12N2O2Se/c1-8(2)3-5(9-11)7-6(4-8)10-12-13-7/h7,11H,3-4H2,1-2H3
InChIKey
KJQXKXUXYZGSFK-UHFFFAOYSA-N
Compound name
N-(5,5-dimethyl-6,7a-dihydro-4H-2,1,3-benzoxaselenazol-7-ylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.0064 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.01368 149.0
[M+Na]+ 270.99562 156.5
[M-H]- 246.99912 152.2
[M+NH4]+ 266.04022 170.4
[M+K]+ 286.96956 155.6
[M+H-H2O]+ 231.00366 142.8
[M+HCOO]- 293.00460 168.6
[M+CH3COO]- 307.02025 183.9
[M+Na-2H]- 268.98107 154.7
[M]+ 248.00585 147.6
[M]- 248.00695 147.7
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.