CID 115119

Selenocystamine

Structural Information

Molecular Formula
C4H12N2Se2
SMILES
C(C[Se][Se]CCN)N
InChI
InChI=1S/C4H12N2Se2/c5-1-3-7-8-4-2-6/h1-6H2
InChIKey
QNGIKJLVQNCRRC-UHFFFAOYSA-N
Compound name
2-(2-aminoethyldiselanyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

35
References

454
Patents

247.93309 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.94037 151.5
[M+Na]+ 270.92231 156.0
[M-H]- 246.92581 149.5
[M+NH4]+ 265.96691 171.7
[M+K]+ 286.89625 154.2
[M+H-H2O]+ 230.93035 144.8
[M+HCOO]- 292.93129 174.6
[M+CH3COO]- 306.94694 180.1
[M+Na-2H]- 268.90776 154.2
[M]+ 247.93254 149.1
[M]- 247.93364 149.1
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