CID 5744089

Acetamide, 2-cyano-2-((1-(cyanomethyl)-2-pyrrolidinylidene))-

Structural Information

Molecular Formula
C9H10N4O
SMILES
C1C/C(=C(/C#N)\C(=O)N)/N(C1)CC#N
InChI
InChI=1S/C9H10N4O/c10-3-5-13-4-1-2-8(13)7(6-11)9(12)14/h1-2,4-5H2,(H2,12,14)/b8-7+
InChIKey
UMDLGNSOFXRETP-BQYQJAHWSA-N
Compound name
(2E)-2-cyano-2-[1-(cyanomethyl)pyrrolidin-2-ylidene]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.08546 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.092736 155.3
[M+Na]+ 213.074678 162.9
[M-H]- 189.078184 156.9
[M+NH4]+ 208.119283 167.5
[M+K]+ 229.048618 160.2
[M+H-H2O]+ 173.082720 138.9
[M+HCOO]- 235.083661 165.4
[M+CH3COO]- 249.099311 215.9
[M+Na-2H]- 211.060126 154.0
[M]+ 190.08491142 143.9
[M]- 190.08600858 143.9
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.