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

72
Patents

258.15796 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.16524 160.8
[M+Na]+ 281.14718 163.7
[M-H]- 257.15068 160.2
[M+NH4]+ 276.19178 174.8
[M+K]+ 297.12112 163.5
[M+H-H2O]+ 241.15522 154.5
[M+HCOO]- 303.15616 174.4
[M+CH3COO]- 317.17181 194.8
[M+Na-2H]- 279.13263 160.1
[M]+ 258.15741 156.6
[M]- 258.15851 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