CID 498934

Nsc638726

Structural Information

Molecular Formula
C12H17NSe
SMILES
C1CCC(C(C1)N)[Se]C2=CC=CC=C2
InChI
InChI=1S/C12H17NSe/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9,13H2
InChIKey
PUYQKJOHPSZPHA-UHFFFAOYSA-N
Compound name
2-phenylselanylcyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.05263 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.05991 155.6
[M+Na]+ 278.04185 159.2
[M-H]- 254.04535 160.2
[M+NH4]+ 273.08645 173.6
[M+K]+ 294.01579 155.4
[M+H-H2O]+ 238.04989 147.8
[M+HCOO]- 300.05083 175.7
[M+CH3COO]- 314.06648 187.6
[M+Na-2H]- 276.02730 158.6
[M]+ 255.05208 148.6
[M]- 255.05318 148.6
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

No patent data available for this compound.