CID 94074

58477-85-3

Structural Information

Molecular Formula
C10H16N2O4
SMILES
C=CCNC(=O)[C@@H]([C@H](C(=O)NCC=C)O)O
InChI
InChI=1S/C10H16N2O4/c1-3-5-11-9(15)7(13)8(14)10(16)12-6-4-2/h3-4,7-8,13-14H,1-2,5-6H2,(H,11,15)(H,12,16)/t7-,8-/m1/s1
InChIKey
ZRKLEAHGBNDKHM-HTQZYQBOSA-N
Compound name
(2R,3R)-2,3-dihydroxy-N,N'-bis(prop-2-enyl)butanediamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

12
References

1567
Patents

228.11101 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.11829 153.8
[M+Na]+ 251.10023 156.9
[M-H]- 227.10373 150.6
[M+NH4]+ 246.14483 169.2
[M+K]+ 267.07417 155.4
[M+H-H2O]+ 211.10827 147.8
[M+HCOO]- 273.10921 173.0
[M+CH3COO]- 287.12486 191.1
[M+Na-2H]- 249.08568 153.0
[M]+ 228.11046 151.1
[M]- 228.11156 151.1
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