CID 560004

4-(3-carboxypropyldiselanyl)butanoic acid

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

29
Patents

333.92224 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.92952 172.5
[M+Na]+ 356.91146 176.2
[M-H]- 332.91496 168.2
[M+NH4]+ 351.95606 188.7
[M+K]+ 372.88540 174.1
[M+H-H2O]+ 316.91950 166.0
[M+HCOO]- 378.92044 189.9
[M+CH3COO]- 392.93609 186.4
[M+Na-2H]- 354.89691 171.3
[M]+ 333.92169 174.6
[M]- 333.92279 174.6
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

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