CID 130798465

2551116-64-2

Structural Information

Molecular Formula
C8H12N2O2
SMILES
CCOC(=O)C1(CCNC1)C#N
InChI
InChI=1S/C8H12N2O2/c1-2-12-7(11)8(5-9)3-4-10-6-8/h10H,2-4,6H2,1H3
InChIKey
QAUMPVFWTOKLKK-UHFFFAOYSA-N
Compound name
ethyl 3-cyanopyrrolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.08987 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.09715 135.9
[M+Na]+ 191.07909 144.4
[M-H]- 167.08259 136.3
[M+NH4]+ 186.12369 155.5
[M+K]+ 207.05303 141.7
[M+H-H2O]+ 151.08713 123.8
[M+HCOO]- 213.08807 152.3
[M+CH3COO]- 227.10372 186.3
[M+Na-2H]- 189.06454 139.8
[M]+ 168.08932 128.9
[M]- 168.09042 128.9
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.