CID 1112

Succinic semialdehyde

Structural Information

Molecular Formula
C4H6O3
SMILES
C(CC(=O)O)C=O
InChI
InChI=1S/C4H6O3/c5-3-1-2-4(6)7/h3H,1-2H2,(H,6,7)
InChIKey
UIUJIQZEACWQSV-UHFFFAOYSA-N
Compound name
4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

321
References

7739
Patents

102.03169 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.03897 117.7
[M+Na]+ 125.02091 127.5
[M+NH4]+ 120.06551 124.7
[M+K]+ 140.99485 123.5
[M-H]- 101.02441 115.6
[M+Na-2H]- 123.00636 120.8
[M]+ 102.03114 118.1
[M]- 102.03224 118.1
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