CID 3053208

Brn 1407666

Structural Information

Molecular Formula
C13H19N3O9
SMILES
CC(=O)O[C@@H]1CO[C@H]([C@@H]([C@@H]1OC(=O)C)OC(=O)C)NC(=O)N(C)N=O
InChI
InChI=1S/C13H19N3O9/c1-6(17)23-9-5-22-12(14-13(20)16(4)15-21)11(25-8(3)19)10(9)24-7(2)18/h9-12H,5H2,1-4H3,(H,14,20)/t9-,10-,11-,12-/m1/s1
InChIKey
KBLOEHMGPOSANZ-DDHJBXDOSA-N
Compound name
[(3R,4R,5R,6R)-4,5-diacetyloxy-6-[[methyl(nitroso)carbamoyl]amino]oxan-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.11212 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.11940 174.8
[M+Na]+ 384.10134 177.9
[M-H]- 360.10484 181.1
[M+NH4]+ 379.14594 185.9
[M+K]+ 400.07528 183.5
[M+H-H2O]+ 344.10938 166.8
[M+HCOO]- 406.11032 196.6
[M+CH3COO]- 420.12597 225.8
[M+Na-2H]- 382.08679 174.4
[M]+ 361.11157 181.1
[M]- 361.11267 181.1
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.