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

8
Patents

168.08987 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.097146 135.4
[M+Na]+ 191.079088 143.1
[M-H]- 167.082594 135.8
[M+NH4]+ 186.123693 153.5
[M+K]+ 207.053028 140.7
[M+H-H2O]+ 151.087130 123.5
[M+HCOO]- 213.088071 150.0
[M+CH3COO]- 227.103721 186.6
[M+Na-2H]- 189.064536 140.6
[M]+ 168.08932142 126.6
[M]- 168.09041858 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