CID 71089163

1158759-68-2

Structural Information

Molecular Formula
C12H22N2O4
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(CN)C(=O)O
InChI
InChI=1S/C12H22N2O4/c1-11(2,3)18-10(17)14-6-4-12(8-13,5-7-14)9(15)16/h4-8,13H2,1-3H3,(H,15,16)
InChIKey
SGBYRPSBHDZIED-UHFFFAOYSA-N
Compound name
4-(aminomethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

258.15796 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.16524 159.5
[M+Na]+ 281.14718 165.4
[M+NH4]+ 276.19178 165.3
[M+K]+ 297.12112 161.9
[M-H]- 257.15068 157.2
[M+Na-2H]- 279.13263 161.7
[M]+ 258.15741 159.3
[M]- 258.15851 159.3
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