CID 57750275

N-boc-4-cyanopiperidine-4-carboxylic acid

Structural Information

Molecular Formula
C12H18N2O4
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(C#N)C(=O)O
InChI
InChI=1S/C12H18N2O4/c1-11(2,3)18-10(17)14-6-4-12(8-13,5-7-14)9(15)16/h4-7H2,1-3H3,(H,15,16)
InChIKey
URBDNSCLBSLLFQ-UHFFFAOYSA-N
Compound name
4-cyano-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

254.12666 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.133936 158.0
[M+Na]+ 277.115878 165.2
[M-H]- 253.119384 158.4
[M+NH4]+ 272.160483 173.2
[M+K]+ 293.089818 163.7
[M+H-H2O]+ 237.123920 146.5
[M+HCOO]- 299.124861 169.6
[M+CH3COO]- 313.140511 201.4
[M+Na-2H]- 275.101326 160.5
[M]+ 254.12611142 151.6
[M]- 254.12720858 151.6
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