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]+ 284.18562 170.8
[M+Na]+ 306.16756 174.1
[M-H]- 282.17106 171.4
[M+NH4]+ 301.21216 186.8
[M+K]+ 322.14150 174.4
[M+H-H2O]+ 266.17560 164.3
[M+HCOO]- 328.17654 191.1
[M+CH3COO]- 342.19219 208.4
[M+Na-2H]- 304.15301 167.9
[M]+ 283.17779 176.2
[M]- 283.17889 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.