CID 176521098

Ethyl n'-carbamimidoylcarbamimidate

Structural Information

Molecular Formula
C4H10N4O
SMILES
CCO/C(=N/C(=N)N)/N
InChI
InChI=1S/C4H10N4O/c1-2-9-4(7)8-3(5)6/h2H2,1H3,(H5,5,6,7,8)
InChIKey
WKEZVPCBTGWEIF-UHFFFAOYSA-N
Compound name
ethyl N'-carbamimidoylcarbamimidate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

130.08546 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.09274 127.0
[M+Na]+ 153.07468 132.3
[M-H]- 129.07818 128.0
[M+NH4]+ 148.11928 147.7
[M+K]+ 169.04862 133.0
[M+H-H2O]+ 113.08272 120.7
[M+HCOO]- 175.08366 154.2
[M+CH3COO]- 189.09931 182.2
[M+Na-2H]- 151.06013 131.6
[M]+ 130.08491 122.5
[M]- 130.08601 122.5
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.