CID 137838428

Methyl 1-[(5-cyanopyridin-2-yl)methyl]pyrrolidine-2-carboxylate

Structural Information

Molecular Formula
C13H15N3O2
SMILES
COC(=O)C1CCCN1CC2=NC=C(C=C2)C#N
InChI
InChI=1S/C13H15N3O2/c1-18-13(17)12-3-2-6-16(12)9-11-5-4-10(7-14)8-15-11/h4-5,8,12H,2-3,6,9H2,1H3
InChIKey
BWSKEZRZWHZTPL-UHFFFAOYSA-N
Compound name
methyl 1-[(5-cyano-2-pyridinyl)methyl]pyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.11642 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.123696 153.7
[M+Na]+ 268.105638 162.2
[M-H]- 244.109144 155.9
[M+NH4]+ 263.150243 167.9
[M+K]+ 284.079578 158.3
[M+H-H2O]+ 228.113680 138.2
[M+HCOO]- 290.114621 169.7
[M+CH3COO]- 304.130271 202.9
[M+Na-2H]- 266.091086 155.0
[M]+ 245.11587142 148.1
[M]- 245.11696858 148.1
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.