CID 3005167

Nsc678496

Structural Information

Molecular Formula
C15H25NO4
SMILES
CCCN(CCC)/C(=C(/CC=C)\C(=O)OC)/C(=O)OC
InChI
InChI=1S/C15H25NO4/c1-6-9-12(14(17)19-4)13(15(18)20-5)16(10-7-2)11-8-3/h6H,1,7-11H2,2-5H3/b13-12-
InChIKey
WOWVMORDTNAQDD-SEYXRHQNSA-N
Compound name
dimethyl (Z)-2-(dipropylamino)-3-prop-2-enylbut-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.17834 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.185616 170.8
[M+Na]+ 306.167558 174.1
[M-H]- 282.171064 171.4
[M+NH4]+ 301.212163 186.8
[M+K]+ 322.141498 174.4
[M+H-H2O]+ 266.175600 164.3
[M+HCOO]- 328.176541 191.1
[M+CH3COO]- 342.192191 208.4
[M+Na-2H]- 304.153006 167.9
[M]+ 283.17779142 176.2
[M]- 283.17888858 176.2
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.