CID 3073573

Ethyl 2-(cyanoimino)-1-pyrrolidineacetate

Structural Information

Molecular Formula
C9H13N3O2
SMILES
CCOC(=O)CN1CCCC1=NC#N
InChI
InChI=1S/C9H13N3O2/c1-2-14-9(13)6-12-5-3-4-8(12)11-7-10/h2-6H2,1H3
InChIKey
HPYCSSKGXITAHU-UHFFFAOYSA-N
Compound name
ethyl 2-(2-cyanoiminopyrrolidin-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.10077 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.10805 140.9
[M+Na]+ 218.08999 148.7
[M-H]- 194.09349 143.4
[M+NH4]+ 213.13459 158.7
[M+K]+ 234.06393 147.5
[M+H-H2O]+ 178.09803 127.0
[M+HCOO]- 240.09897 160.5
[M+CH3COO]- 254.11462 198.2
[M+Na-2H]- 216.07544 143.8
[M]+ 195.10022 136.0
[M]- 195.10132 136.0
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

No patent data available for this compound.