CID 3074556

N-acetyl-2-(cyanoimino)-1-pyrrolidineacetamide

Structural Information

Molecular Formula
C9H12N4O2
SMILES
CC(=O)NC(=O)CN1CCCC1=NC#N
InChI
InChI=1S/C9H12N4O2/c1-7(14)12-9(15)5-13-4-2-3-8(13)11-6-10/h2-5H2,1H3,(H,12,14,15)
InChIKey
FHBRHGAXSMEPJH-UHFFFAOYSA-N
Compound name
N-acetyl-2-(2-cyanoiminopyrrolidin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.09602 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.10330 147.1
[M+Na]+ 231.08524 153.9
[M-H]- 207.08874 149.5
[M+NH4]+ 226.12984 163.9
[M+K]+ 247.05918 152.9
[M+H-H2O]+ 191.09328 132.8
[M+HCOO]- 253.09422 166.7
[M+CH3COO]- 267.10987 202.1
[M+Na-2H]- 229.07069 148.8
[M]+ 208.09547 140.1
[M]- 208.09657 140.1
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.