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]+ 169.097146 133.7
[M+Na]+ 191.079088 142.3
[M-H]- 167.082594 135.3
[M+NH4]+ 186.123693 152.4
[M+K]+ 207.053028 141.0
[M+H-H2O]+ 151.087130 120.7
[M+HCOO]- 213.088071 151.4
[M+CH3COO]- 227.103721 190.1
[M+Na-2H]- 189.064536 136.5
[M]+ 168.08932142 128.4
[M]- 168.09041858 128.4
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.