CID 84254

14205-40-4

Structural Information

Molecular Formula
C10H16N2O4
SMILES
CC(=CC(=O)OCCOC(=O)C=C(C)N)N
InChI
InChI=1S/C10H16N2O4/c1-7(11)5-9(13)15-3-4-16-10(14)6-8(2)12/h5-6H,3-4,11-12H2,1-2H3
InChIKey
XKZRFLCEABGXJI-UHFFFAOYSA-N
Compound name
2-(3-aminobut-2-enoyloxy)ethyl 3-aminobut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.11101 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.118286 154.0
[M+Na]+ 251.100228 158.2
[M-H]- 227.103734 152.8
[M+NH4]+ 246.144833 170.6
[M+K]+ 267.074168 157.8
[M+H-H2O]+ 211.108270 147.7
[M+HCOO]- 273.109211 175.0
[M+CH3COO]- 287.124861 193.4
[M+Na-2H]- 249.085676 152.2
[M]+ 228.11046142 153.0
[M]- 228.11155858 153.0
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.