CID 137838428

En300-315601

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-cyanopyridin-2-yl)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]+ 246.12370 153.7
[M+Na]+ 268.10564 162.2
[M-H]- 244.10914 155.9
[M+NH4]+ 263.15024 167.9
[M+K]+ 284.07958 158.3
[M+H-H2O]+ 228.11368 138.2
[M+HCOO]- 290.11462 169.7
[M+CH3COO]- 304.13027 202.9
[M+Na-2H]- 266.09109 155.0
[M]+ 245.11587 148.1
[M]- 245.11697 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.