CID 6455438

67252-64-6

Structural Information

Molecular Formula
C14H24N2O5
SMILES
CC(OC(=O)/C=C(\N)/C)COCC(OC(=O)/C=C(\N)/C)C
InChI
InChI=1S/C14H24N2O5/c1-9(15)5-13(17)20-11(3)7-19-8-12(4)21-14(18)6-10(2)16/h5-6,11-12H,7-8,15-16H2,1-4H3/b9-5-,10-6-
InChIKey
URTZJWXZQXPBAZ-OZDSWYPASA-N
Compound name
1-[2-[(Z)-3-aminobut-2-enoyl]oxypropoxy]propan-2-yl (Z)-3-aminobut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.16852 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.17580 174.9
[M+Na]+ 323.15774 176.9
[M-H]- 299.16124 173.1
[M+NH4]+ 318.20234 188.3
[M+K]+ 339.13168 177.3
[M+H-H2O]+ 283.16578 168.0
[M+HCOO]- 345.16672 192.9
[M+CH3COO]- 359.18237 209.5
[M+Na-2H]- 321.14319 168.8
[M]+ 300.16797 175.6
[M]- 300.16907 175.6
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.