CID 23591750

1260092-44-1

Structural Information

Molecular Formula
C10H19NO5
SMILES
CC(C)(C)OC(=O)NCCOCCC(=O)O
InChI
InChI=1S/C10H19NO5/c1-10(2,3)16-9(14)11-5-7-15-6-4-8(12)13/h4-7H2,1-3H3,(H,11,14)(H,12,13)
InChIKey
YGNSGMAPLOVGIU-UHFFFAOYSA-N
Compound name
3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

166
Patents

233.12633 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.13361 153.5
[M+Na]+ 256.11555 158.3
[M-H]- 232.11905 152.0
[M+NH4]+ 251.16015 170.4
[M+K]+ 272.08949 158.8
[M+H-H2O]+ 216.12359 148.2
[M+HCOO]- 278.12453 173.6
[M+CH3COO]- 292.14018 189.8
[M+Na-2H]- 254.10100 156.7
[M]+ 233.12578 157.4
[M]- 233.12688 157.4
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