CID 5493744

Nsc18489

Structural Information

Molecular Formula
C13H22N2O2
SMILES
CC(CN/C(=C\C(=O)C)/C)N/C(=C\C(=O)C)/C
InChI
InChI=1S/C13H22N2O2/c1-9(6-12(4)16)14-8-11(3)15-10(2)7-13(5)17/h6-7,11,14-15H,8H2,1-5H3/b9-6-,10-7-
InChIKey
YNWCJGDKZCSJOM-LFPVQMOXSA-N
Compound name
(Z)-4-[2-[[(Z)-4-oxopent-2-en-2-yl]amino]propylamino]pent-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.16812 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.17540 161.6
[M+Na]+ 261.15734 164.4
[M-H]- 237.16084 161.0
[M+NH4]+ 256.20194 178.3
[M+K]+ 277.13128 163.3
[M+H-H2O]+ 221.16538 155.4
[M+HCOO]- 283.16632 181.4
[M+CH3COO]- 297.18197 201.5
[M+Na-2H]- 259.14279 159.1
[M]+ 238.16757 160.5
[M]- 238.16867 160.5
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.