CID 1268219

4-(boc-amino)tetrahydropyran-4-carboxylic acid

Structural Information

Molecular Formula
C11H19NO5
SMILES
CC(C)(C)OC(=O)NC1(CCOCC1)C(=O)O
InChI
InChI=1S/C11H19NO5/c1-10(2,3)17-9(15)12-11(8(13)14)4-6-16-7-5-11/h4-7H2,1-3H3,(H,12,15)(H,13,14)
InChIKey
SPPDKPRJPFTBEV-UHFFFAOYSA-N
Compound name
4-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

311
Patents

245.12633 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.13361 154.4
[M+Na]+ 268.11555 158.0
[M-H]- 244.11905 156.4
[M+NH4]+ 263.16015 171.1
[M+K]+ 284.08949 159.6
[M+H-H2O]+ 228.12359 149.7
[M+HCOO]- 290.12453 170.5
[M+CH3COO]- 304.14018 189.3
[M+Na-2H]- 266.10100 159.6
[M]+ 245.12578 153.1
[M]- 245.12688 153.1
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