CID 64982685

Methyl 4-cyanopiperidine-4-carboxylate hydrochloride

Structural Information

Molecular Formula
C8H12N2O2
SMILES
COC(=O)C1(CCNCC1)C#N
InChI
InChI=1S/C8H12N2O2/c1-12-7(11)8(6-9)2-4-10-5-3-8/h10H,2-5H2,1H3
InChIKey
GNKQILAUTUVSDE-UHFFFAOYSA-N
Compound name
methyl 4-cyanopiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

168.08987 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.09715 135.4
[M+Na]+ 191.07909 143.1
[M-H]- 167.08259 135.8
[M+NH4]+ 186.12369 153.5
[M+K]+ 207.05303 140.7
[M+H-H2O]+ 151.08713 123.5
[M+HCOO]- 213.08807 150.0
[M+CH3COO]- 227.10372 186.6
[M+Na-2H]- 189.06454 140.6
[M]+ 168.08932 126.6
[M]- 168.09042 126.6
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