CID 165911828

2-{[(tert-butoxy)carbonyl]amino}-2-(oxan-4-yl)propanoic acid

Structural Information

Molecular Formula
C13H23NO5
SMILES
CC(C)(C)OC(=O)NC(C)(C1CCOCC1)C(=O)O
InChI
InChI=1S/C13H23NO5/c1-12(2,3)19-11(17)14-13(4,10(15)16)9-5-7-18-8-6-9/h9H,5-8H2,1-4H3,(H,14,17)(H,15,16)
InChIKey
OBYQRFBFZHOZEI-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxan-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.15762 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.16490 162.2
[M+Na]+ 296.14684 164.4
[M-H]- 272.15034 163.9
[M+NH4]+ 291.19144 175.8
[M+K]+ 312.12078 165.8
[M+H-H2O]+ 256.15488 156.8
[M+HCOO]- 318.15582 176.2
[M+CH3COO]- 332.17147 196.3
[M+Na-2H]- 294.13229 166.3
[M]+ 273.15707 160.7
[M]- 273.15817 160.7
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

No patent data available for this compound.