CID 5744089

1-cyanomethyl-2-(cyanocarbamido)methylenepyrrolidine

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]+ 191.09274 155.3
[M+Na]+ 213.07468 162.9
[M-H]- 189.07818 156.9
[M+NH4]+ 208.11928 167.5
[M+K]+ 229.04862 160.2
[M+H-H2O]+ 173.08272 138.9
[M+HCOO]- 235.08366 165.4
[M+CH3COO]- 249.09931 215.9
[M+Na-2H]- 211.06013 154.0
[M]+ 190.08491 143.9
[M]- 190.08601 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.