CID 84256

14205-47-1

Structural Information

Molecular Formula

C₁₂H₂₀N₂O₄

SMILES

CC(=CC(=O)OCCCCOC(=O)C=C(C)N)N

InChI

InChI=1S/C12H20N2O4/c1-9(13)7-11(15)17-5-3-4-6-18-12(16)8-10(2)14/h7-8H,3-6,13-14H2,1-2H3

InChIKey

DFUXQARZEWMFLQ-UHFFFAOYSA-N

Compound name

4-(3-aminobut-2-enoyloxy)butyl 3-aminobut-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 256.1423 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	257.149576	163.1
[M+Na]+	279.131518	166.5
[M-H]-	255.135024	161.5
[M+NH4]+	274.176123	178.6
[M+K]+	295.105458	165.6
[M+H-H2O]+	239.139560	156.5
[M+HCOO]-	301.140501	183.5
[M+CH3COO]-	315.156151	199.4
[M+Na-2H]-	277.116966	160.3
[M]+	256.14175142	162.9
[M]-	256.14284858	162.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe