CID 383827

Sakacin p

Structural Information

Molecular Formula
C9H16N2O4
SMILES
CC(C(=O)C(=O)N)NC(=O)OC(C)(C)C
InChI
InChI=1S/C9H16N2O4/c1-5(6(12)7(10)13)11-8(14)15-9(2,3)4/h5H,1-4H3,(H2,10,13)(H,11,14)
InChIKey
VMETVXNVLXCEFC-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-amino-3,4-dioxobutan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

34
References

295
Patents

216.11101 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.11829 148.4
[M+Na]+ 239.10023 153.1
[M-H]- 215.10373 148.2
[M+NH4]+ 234.14483 165.9
[M+K]+ 255.07417 154.4
[M+H-H2O]+ 199.10827 143.1
[M+HCOO]- 261.10921 168.7
[M+CH3COO]- 275.12486 192.7
[M+Na-2H]- 237.08568 149.3
[M]+ 216.11046 148.5
[M]- 216.11156 148.5
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