CID 137838116

2089255-10-5

Structural Information

Molecular Formula
C11H19NO6
SMILES
CC(C)(C)OC(=O)NC(CC1OCCO1)C(=O)O
InChI
InChI=1S/C11H19NO6/c1-11(2,3)18-10(15)12-7(9(13)14)6-8-16-4-5-17-8/h7-8H,4-6H2,1-3H3,(H,12,15)(H,13,14)
InChIKey
WAIFFCKEDBNZJZ-UHFFFAOYSA-N
Compound name
3-(1,3-dioxolan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

261.12125 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.12853 159.7
[M+Na]+ 284.11047 162.8
[M-H]- 260.11397 162.4
[M+NH4]+ 279.15507 174.0
[M+K]+ 300.08441 165.7
[M+H-H2O]+ 244.11851 154.4
[M+HCOO]- 306.11945 176.2
[M+CH3COO]- 320.13510 192.8
[M+Na-2H]- 282.09592 162.3
[M]+ 261.12070 161.3
[M]- 261.12180 161.3
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