CID 132364929

2155855-31-3

Structural Information

Molecular Formula
C13H20N2O4
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C(C#N)C(=O)O
InChI
InChI=1S/C13H20N2O4/c1-13(2,3)19-12(18)15-6-4-9(5-7-15)10(8-14)11(16)17/h9-10H,4-7H2,1-3H3,(H,16,17)
InChIKey
VSMBJUMSYNIAEI-UHFFFAOYSA-N
Compound name
2-cyano-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.1423 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.14958 162.1
[M+Na]+ 291.13152 167.5
[M-H]- 267.13502 162.0
[M+NH4]+ 286.17612 174.8
[M+K]+ 307.10546 166.6
[M+H-H2O]+ 251.13956 149.5
[M+HCOO]- 313.14050 172.5
[M+CH3COO]- 327.15615 205.3
[M+Na-2H]- 289.11697 161.8
[M]+ 268.14175 155.1
[M]- 268.14285 155.1
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.