CID 104185437

Ethyl 1-cyanopyrrolidine-2-carboxylate

Structural Information

Molecular Formula
C8H12N2O2
SMILES
CCOC(=O)C1CCCN1C#N
InChI
InChI=1S/C8H12N2O2/c1-2-12-8(11)7-4-3-5-10(7)6-9/h7H,2-5H2,1H3
InChIKey
BVHFLNCWVOGCNV-UHFFFAOYSA-N
Compound name
ethyl 1-cyanopyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.08987 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.09715 137.2
[M+Na]+ 191.07909 145.9
[M+NH4]+ 186.12369 141.0
[M+K]+ 207.05303 139.9
[M-H]- 167.08259 129.6
[M+Na-2H]- 189.06454 138.0
[M]+ 168.08932 135.1
[M]- 168.09042 135.1
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.