CID 290473

3815-87-0

Structural Information

Molecular Formula
C9H16N4O2
SMILES
CC(=NNC(=O)CC(=O)NN=C(C)C)C
InChI
InChI=1S/C9H16N4O2/c1-6(2)10-12-8(14)5-9(15)13-11-7(3)4/h5H2,1-4H3,(H,12,14)(H,13,15)
InChIKey
KJMYPGUTMKXBQM-UHFFFAOYSA-N
Compound name
N,N'-bis(propan-2-ylideneamino)propanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

212.12732 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.13460 150.9
[M+Na]+ 235.11654 154.7
[M-H]- 211.12004 153.8
[M+NH4]+ 230.16114 169.4
[M+K]+ 251.09048 156.1
[M+H-H2O]+ 195.12458 143.7
[M+HCOO]- 257.12552 178.0
[M+CH3COO]- 271.14117 202.6
[M+Na-2H]- 233.10199 153.2
[M]+ 212.12677 150.9
[M]- 212.12787 150.9
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

patents stripe