CID 197244

Sch-37137

Structural Information

Molecular Formula
C10H16N4O6
SMILES
C[C@@H](C(=O)OC(=O)[C@H](CNC(=O)[C@H]1[C@@H](O1)C(=O)N)N)N
InChI
InChI=1S/C10H16N4O6/c1-3(11)9(17)20-10(18)4(12)2-14-8(16)6-5(19-6)7(13)15/h3-6H,2,11-12H2,1H3,(H2,13,15)(H,14,16)/t3-,4-,5+,6+/m0/s1
InChIKey
ZJOXNGKKGAAFJU-UNTFVMJOSA-N
Compound name
[(2S)-2-aminopropanoyl] (2S)-2-amino-3-[[(2R,3R)-3-carbamoyloxirane-2-carbonyl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

288.107 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.11428 159.9
[M+Na]+ 311.09622 164.7
[M-H]- 287.09972 163.7
[M+NH4]+ 306.14082 167.3
[M+K]+ 327.07016 164.2
[M+H-H2O]+ 271.10426 152.7
[M+HCOO]- 333.10520 180.1
[M+CH3COO]- 347.12085 213.5
[M+Na-2H]- 309.08167 157.4
[M]+ 288.10645 161.2
[M]- 288.10755 161.2
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.