CID 15331

Daminozide

Structural Information

Molecular Formula
C6H12N2O3
SMILES
CN(C)NC(=O)CCC(=O)O
InChI
InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11)
InChIKey
NOQGZXFMHARMLW-UHFFFAOYSA-N
Compound name
4-(2,2-dimethylhydrazinyl)-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

73
References

43622
Patents

160.0848 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.092076 134.3
[M+Na]+ 183.074018 139.6
[M-H]- 159.077524 134.7
[M+NH4]+ 178.118623 154.2
[M+K]+ 199.047958 141.0
[M+H-H2O]+ 143.082060 128.7
[M+HCOO]- 205.083001 158.2
[M+CH3COO]- 219.098651 183.1
[M+Na-2H]- 181.059466 137.9
[M]+ 160.08425142 134.8
[M]- 160.08534858 134.8
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