CID 10910533

(2s)-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanoic acid

Structural Information

Molecular Formula
C9H16N2O3
SMILES
CC(C)[C@@H](C(=O)O)N1CCCNC1=O
InChI
InChI=1S/C9H16N2O3/c1-6(2)7(8(12)13)11-5-3-4-10-9(11)14/h6-7H,3-5H2,1-2H3,(H,10,14)(H,12,13)/t7-/m0/s1
InChIKey
AFGBRTKUTJQHIP-ZETCQYMHSA-N
Compound name
(2S)-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

200.11609 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.123366 146.0
[M+Na]+ 223.105308 150.1
[M-H]- 199.108814 143.3
[M+NH4]+ 218.149913 160.6
[M+K]+ 239.079248 148.7
[M+H-H2O]+ 183.113350 139.3
[M+HCOO]- 245.114291 158.6
[M+CH3COO]- 259.129941 181.0
[M+Na-2H]- 221.090756 145.9
[M]+ 200.11554142 140.3
[M]- 200.11663858 140.3
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

patents stripe