CID 12096845

177702-21-5

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

70
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 159.6
[M+Na]+ 281.14718 165.0
[M+NH4]+ 276.19178 163.8
[M+K]+ 297.12112 164.0
[M-H]- 257.15068 157.1
[M+Na-2H]- 279.13263 159.7
[M]+ 258.15741 159.0
[M]- 258.15851 159.0
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