CID 130165

Alt-2074

Structural Information

Molecular Formula
C10H13NSe
SMILES
CC1(CN[Se]C2=CC=CC=C21)C
InChI
InChI=1S/C10H13NSe/c1-10(2)7-11-12-9-6-4-3-5-8(9)10/h3-6,11H,7H2,1-2H3
InChIKey
FXRYWOJYVGJZLE-UHFFFAOYSA-N
Compound name
4,4-dimethyl-2,3-dihydro-1,2-benzoselenazine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

123
Patents

227.02132 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.02860 145.6
[M+Na]+ 250.01054 158.9
[M+NH4]+ 245.05514 156.8
[M+K]+ 265.98448 148.6
[M-H]- 226.01404 148.4
[M+Na-2H]- 247.99599 153.1
[M]+ 227.02077 148.5
[M]- 227.02187 148.5
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