CID 560004

14362-48-2

Structural Information

Molecular Formula
C8H14O4Se2
SMILES
C(CC(=O)O)C[Se][Se]CCCC(=O)O
InChI
InChI=1S/C8H14O4Se2/c9-7(10)3-1-5-13-14-6-2-4-8(11)12/h1-6H2,(H,9,10)(H,11,12)
InChIKey
WORSJCPMKUOXAD-UHFFFAOYSA-N
Compound name
4-(3-carboxypropyldiselanyl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

333.92224 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.92952 166.5
[M+Na]+ 356.91146 173.0
[M+NH4]+ 351.95606 170.8
[M+K]+ 372.88540 168.3
[M-H]- 332.91496 162.5
[M+Na-2H]- 354.89691 165.0
[M]+ 333.92169 165.6
[M]- 333.92279 165.6
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

patents stripe