CID 2734504

321744-26-7

Structural Information

Molecular Formula
C12H21NO5
SMILES
CC(C)(C)OC(=O)N1CC[C@@H](C[C@@H]1C(=O)OC)O
InChI
InChI=1S/C12H21NO5/c1-12(2,3)18-11(16)13-6-5-8(14)7-9(13)10(15)17-4/h8-9,14H,5-7H2,1-4H3/t8-,9+/m0/s1
InChIKey
RNMVWSAJMIKMDY-DTWKUNHWSA-N
Compound name
1-O-tert-butyl 2-O-methyl (2R,4S)-4-hydroxypiperidine-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

149
Patents

259.14197 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.14925 158.7
[M+Na]+ 282.13119 163.7
[M-H]- 258.13469 159.1
[M+NH4]+ 277.17579 173.8
[M+K]+ 298.10513 163.8
[M+H-H2O]+ 242.13923 152.9
[M+HCOO]- 304.14017 173.1
[M+CH3COO]- 318.15582 192.0
[M+Na-2H]- 280.11664 159.5
[M]+ 259.14142 158.7
[M]- 259.14252 158.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe