CID 104185241

Methyl 1-cyanopiperidine-4-carboxylate

Structural Information

Molecular Formula
C8H12N2O2
SMILES
COC(=O)C1CCN(CC1)C#N
InChI
InChI=1S/C8H12N2O2/c1-12-8(11)7-2-4-10(6-9)5-3-7/h7H,2-5H2,1H3
InChIKey
PWQFHIFFLAYUPQ-UHFFFAOYSA-N
Compound name
methyl 1-cyanopiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.08987 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.09715 132.6
[M+Na]+ 191.07909 140.4
[M-H]- 167.08259 134.1
[M+NH4]+ 186.12369 149.7
[M+K]+ 207.05303 139.2
[M+H-H2O]+ 151.08713 119.9
[M+HCOO]- 213.08807 148.5
[M+CH3COO]- 227.10372 190.3
[M+Na-2H]- 189.06454 136.7
[M]+ 168.08932 125.5
[M]- 168.09042 125.5
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.