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

166
Patents

227.02132 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.02860 147.2
[M+Na]+ 250.01054 154.2
[M-H]- 226.01404 148.3
[M+NH4]+ 245.05514 168.5
[M+K]+ 265.98448 150.3
[M+H-H2O]+ 210.01858 140.5
[M+HCOO]- 272.01952 164.7
[M+CH3COO]- 286.03517 158.9
[M+Na-2H]- 247.99599 154.2
[M]+ 227.02077 143.0
[M]- 227.02187 143.0
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