CID 5462863

3-penten-2-one, 4,4'-(1,2-ethanediyldiimino)bis-, (3z,3'z)-

Structural Information

Molecular Formula
C12H20N2O2
SMILES
C/C(=C/C(=O)C)/NCCN/C(=C\C(=O)C)/C
InChI
InChI=1S/C12H20N2O2/c1-9(7-11(3)15)13-5-6-14-10(2)8-12(4)16/h7-8,13-14H,5-6H2,1-4H3/b9-7-,10-8-
InChIKey
JBPDKWSODLKWPV-XOHWUJONSA-N
Compound name
(Z)-4-[2-[[(Z)-4-oxopent-2-en-2-yl]amino]ethylamino]pent-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

12
Patents

224.15248 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.15976 156.9
[M+Na]+ 247.14170 160.3
[M-H]- 223.14520 156.4
[M+NH4]+ 242.18630 174.2
[M+K]+ 263.11564 158.9
[M+H-H2O]+ 207.14974 150.7
[M+HCOO]- 269.15068 178.0
[M+CH3COO]- 283.16633 197.6
[M+Na-2H]- 245.12715 156.1
[M]+ 224.15193 156.1
[M]- 224.15303 156.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe