CID 498936

Nsc638727

Structural Information

Molecular Formula
C14H23NSe
SMILES
CCCC(C(CCC)[Se]C1=CC=CC=C1)N
InChI
InChI=1S/C14H23NSe/c1-3-8-13(15)14(9-4-2)16-12-10-6-5-7-11-12/h5-7,10-11,13-14H,3-4,8-9,15H2,1-2H3
InChIKey
RSKDAVLTFXQLGC-UHFFFAOYSA-N
Compound name
5-phenylselanyloctan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.09958 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.10686 169.6
[M+Na]+ 308.08880 172.6
[M-H]- 284.09230 171.1
[M+NH4]+ 303.13340 186.7
[M+K]+ 324.06274 169.4
[M+H-H2O]+ 268.09684 162.0
[M+HCOO]- 330.09778 189.9
[M+CH3COO]- 344.11343 197.7
[M+Na-2H]- 306.07425 169.9
[M]+ 285.09903 168.6
[M]- 285.10013 168.6
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.