CID 136575640

2167397-77-3

Structural Information

Molecular Formula
C12H21NO5
SMILES
CC(C)(C)OC(=O)NC1(CCOC1)CCC(=O)O
InChI
InChI=1S/C12H21NO5/c1-11(2,3)18-10(16)13-12(5-4-9(14)15)6-7-17-8-12/h4-8H2,1-3H3,(H,13,16)(H,14,15)
InChIKey
KFVYRFLIANZEOG-UHFFFAOYSA-N
Compound name
3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]oxolan-3-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.14197 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.14925 159.6
[M+Na]+ 282.13119 163.5
[M-H]- 258.13469 161.6
[M+NH4]+ 277.17579 177.5
[M+K]+ 298.10513 164.5
[M+H-H2O]+ 242.13923 155.3
[M+HCOO]- 304.14017 177.4
[M+CH3COO]- 318.15582 191.8
[M+Na-2H]- 280.11664 163.3
[M]+ 259.14142 160.5
[M]- 259.14252 160.5
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.