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]+ 131.092736 127.0
[M+Na]+ 153.074678 132.3
[M-H]- 129.078184 128.0
[M+NH4]+ 148.119283 147.7
[M+K]+ 169.048618 133.0
[M+H-H2O]+ 113.082720 120.7
[M+HCOO]- 175.083661 154.2
[M+CH3COO]- 189.099311 182.2
[M+Na-2H]- 151.060126 131.6
[M]+ 130.08491142 122.5
[M]- 130.08600858 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

literature stripe

Patent stripe

No patent data available for this compound.