CID 12096845

(r)-4-(amino-carboxy-methyl)-piperidine-1-carboxylic acid tert-butyl ester

Structural Information

Molecular Formula
C12H22N2O4
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)[C@H](C(=O)O)N
InChI
InChI=1S/C12H22N2O4/c1-12(2,3)18-11(17)14-6-4-8(5-7-14)9(13)10(15)16/h8-9H,4-7,13H2,1-3H3,(H,15,16)/t9-/m1/s1
InChIKey
UPEUKKCILASJSH-SECBINFHSA-N
Compound name
(2R)-2-amino-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

258.15796 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.165236 160.8
[M+Na]+ 281.147178 163.7
[M-H]- 257.150684 160.2
[M+NH4]+ 276.191783 174.8
[M+K]+ 297.121118 163.5
[M+H-H2O]+ 241.155220 154.5
[M+HCOO]- 303.156161 174.4
[M+CH3COO]- 317.171811 194.8
[M+Na-2H]- 279.132626 160.1
[M]+ 258.15741142 156.6
[M]- 258.15850858 156.6
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