CID 9587871

54978-19-7

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]+ 157.108376 134.1
[M+Na]+ 179.090318 139.2
[M-H]- 155.093824 136.2
[M+NH4]+ 174.134923 154.4
[M+K]+ 195.064258 139.7
[M+H-H2O]+ 139.098360 127.3
[M+HCOO]- 201.099301 162.4
[M+CH3COO]- 215.114951 190.6
[M+Na-2H]- 177.075766 138.3
[M]+ 156.10055142 131.7
[M]- 156.10164858 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.