CID 145912874

2377033-01-5

Structural Information

Molecular Formula
C13H21NO5
SMILES
CC(C)(C)OC(=O)NCC12CC(C1)(CCO2)C(=O)O
InChI
InChI=1S/C13H21NO5/c1-11(2,3)19-10(17)14-8-13-6-12(7-13,9(15)16)4-5-18-13/h4-8H2,1-3H3,(H,14,17)(H,15,16)
InChIKey
XPOGLQOLPHOJAL-UHFFFAOYSA-N
Compound name
1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxabicyclo[3.1.1]heptane-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.14197 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.14925 165.0
[M+Na]+ 294.13119 165.9
[M+NH4]+ 289.17579 170.1
[M+K]+ 310.10513 161.6
[M-H]- 270.13469 158.6
[M+Na-2H]- 292.11664 160.5
[M]+ 271.14142 162.0
[M]- 271.14252 162.0
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.