CID 154878818

2490404-06-1

Structural Information

Molecular Formula
C14H22N2O4
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)(CCC(=O)O)C#N
InChI
InChI=1S/C14H22N2O4/c1-13(2,3)20-12(19)16-8-4-6-14(9-15,10-16)7-5-11(17)18/h4-8,10H2,1-3H3,(H,17,18)
InChIKey
VORJGOFYTXKDPP-UHFFFAOYSA-N
Compound name
3-[3-cyano-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.15796 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.16524 165.6
[M+Na]+ 305.14718 172.0
[M-H]- 281.15068 165.7
[M+NH4]+ 300.19178 179.8
[M+K]+ 321.12112 170.2
[M+H-H2O]+ 265.15522 153.9
[M+HCOO]- 327.15616 176.7
[M+CH3COO]- 341.17181 206.7
[M+Na-2H]- 303.13263 167.3
[M]+ 282.15741 159.9
[M]- 282.15851 159.9
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.