CID 20843441

Schembl10722306

Structural Information

Molecular Formula
C6H9N3O2
SMILES
CO/C(=C\C(=NC#N)OC)/N
InChI
InChI=1S/C6H9N3O2/c1-10-5(8)3-6(11-2)9-4-7/h3H,8H2,1-2H3/b5-3-,9-6?
InChIKey
DMLIIWGDMRBECT-MBVLSBFJSA-N
Compound name
methyl (Z)-3-amino-N-cyano-3-methoxyprop-2-enimidate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

155.06947 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.076746 133.7
[M+Na]+ 178.058688 141.4
[M-H]- 154.062194 135.2
[M+NH4]+ 173.103293 152.3
[M+K]+ 194.032628 142.4
[M+H-H2O]+ 138.066730 121.4
[M+HCOO]- 200.067671 155.4
[M+CH3COO]- 214.083321 194.2
[M+Na-2H]- 176.044136 137.8
[M]+ 155.06892142 129.0
[M]- 155.07001858 129.0
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