CID 64142408

1404879-35-1

Structural Information

Molecular Formula
C13H23NO5
SMILES
CC(C)(C)OC(=O)NC(CC1CCCOC1)C(=O)O
InChI
InChI=1S/C13H23NO5/c1-13(2,3)19-12(17)14-10(11(15)16)7-9-5-4-6-18-8-9/h9-10H,4-8H2,1-3H3,(H,14,17)(H,15,16)
InChIKey
DDDKXEBRBJHARR-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(oxan-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

273.15762 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.16490 164.3
[M+Na]+ 296.14684 165.8
[M-H]- 272.15034 165.7
[M+NH4]+ 291.19144 177.6
[M+K]+ 312.12078 167.1
[M+H-H2O]+ 256.15488 158.1
[M+HCOO]- 318.15582 178.8
[M+CH3COO]- 332.17147 196.7
[M+Na-2H]- 294.13229 165.8
[M]+ 273.15707 162.6
[M]- 273.15817 162.6
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