CID 137942949

2260936-11-4

Structural Information

Molecular Formula
C13H21NO5
SMILES
CC(C)(C)OC(=O)NCC12CCC(C1)(CO2)C(=O)O
InChI
InChI=1S/C13H21NO5/c1-11(2,3)19-10(17)14-7-13-5-4-12(6-13,8-18-13)9(15)16/h4-8H2,1-3H3,(H,14,17)(H,15,16)
InChIKey
GGJBRCAZJGKOGH-UHFFFAOYSA-N
Compound name
1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxabicyclo[2.2.1]heptane-4-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 160.2
[M+Na]+ 294.13119 163.7
[M+NH4]+ 289.17579 168.2
[M+K]+ 310.10513 162.4
[M-H]- 270.13469 157.9
[M+Na-2H]- 292.11664 160.9
[M]+ 271.14142 159.7
[M]- 271.14252 159.7
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.