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

43433
Patents

160.0848 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.09208 134.3
[M+Na]+ 183.07402 139.6
[M-H]- 159.07752 134.7
[M+NH4]+ 178.11862 154.2
[M+K]+ 199.04796 141.0
[M+H-H2O]+ 143.08206 128.7
[M+HCOO]- 205.08300 158.2
[M+CH3COO]- 219.09865 183.1
[M+Na-2H]- 181.05947 137.9
[M]+ 160.08425 134.8
[M]- 160.08535 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.