CID 9834015

Methyl 1-cyanopyrrolidine-3-carboxylate

Structural Information

Molecular Formula
C7H10N2O2
SMILES
COC(=O)C1CCN(C1)C#N
InChI
InChI=1S/C7H10N2O2/c1-11-7(10)6-2-3-9(4-6)5-8/h6H,2-4H2,1H3
InChIKey
OICJQZQATQMRGR-UHFFFAOYSA-N
Compound name
methyl 1-cyanopyrrolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

154.07423 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.08151 133.2
[M+Na]+ 177.06345 142.2
[M+NH4]+ 172.10805 137.1
[M+K]+ 193.03739 136.3
[M-H]- 153.06695 125.7
[M+Na-2H]- 175.04890 134.3
[M]+ 154.07368 131.2
[M]- 154.07478 131.2
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

patents stripe