CID 9587871

N-(acetylpropylidene)aminoguanidine acetate

Structural Information

Molecular Formula
C6H12N4O
SMILES
CC(=O)CC/C=N/N=C(N)N
InChI
InChI=1S/C6H12N4O/c1-5(11)3-2-4-9-10-6(7)8/h4H,2-3H2,1H3,(H4,7,8,10)/b9-4+
InChIKey
PMRBCRHSYKDPMN-RUDMXATFSA-N
Compound name
2-[(E)-4-oxopentylideneamino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.1011 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.10838 134.1
[M+Na]+ 179.09032 139.2
[M-H]- 155.09382 136.2
[M+NH4]+ 174.13492 154.4
[M+K]+ 195.06426 139.7
[M+H-H2O]+ 139.09836 127.3
[M+HCOO]- 201.09930 162.4
[M+CH3COO]- 215.11495 190.6
[M+Na-2H]- 177.07577 138.3
[M]+ 156.10055 131.7
[M]- 156.10165 131.7
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.