CID 84049658

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

Structural Information

Molecular Formula
C13H23NO5
SMILES
CC(C)(C)OC(=O)NCC1(CCOCC1)CC(=O)O
InChI
InChI=1S/C13H23NO5/c1-12(2,3)19-11(17)14-9-13(8-10(15)16)4-6-18-7-5-13/h4-9H2,1-3H3,(H,14,17)(H,15,16)
InChIKey
UEQOHXVTXRCTJV-UHFFFAOYSA-N
Compound name
2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.15762 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.16490 163.5
[M+Na]+ 296.14684 166.2
[M-H]- 272.15034 165.1
[M+NH4]+ 291.19144 179.0
[M+K]+ 312.12078 167.4
[M+H-H2O]+ 256.15488 158.5
[M+HCOO]- 318.15582 179.0
[M+CH3COO]- 332.17147 195.3
[M+Na-2H]- 294.13229 167.7
[M]+ 273.15707 162.9
[M]- 273.15817 162.9
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.