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]+ 169.097146 132.6
[M+Na]+ 191.079088 140.4
[M-H]- 167.082594 134.1
[M+NH4]+ 186.123693 149.7
[M+K]+ 207.053028 139.2
[M+H-H2O]+ 151.087130 119.9
[M+HCOO]- 213.088071 148.5
[M+CH3COO]- 227.103721 190.3
[M+Na-2H]- 189.064536 136.7
[M]+ 168.08932142 125.5
[M]- 168.09041858 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.