CID 165766574

2758005-25-1

Structural Information

Molecular Formula
C13H21NO5
SMILES
CC(C)(C)OC(=O)N1CC2(CC(C2)(C1)C(=O)O)CO
InChI
InChI=1S/C13H21NO5/c1-11(2,3)19-10(18)14-6-12(8-15)4-13(5-12,7-14)9(16)17/h15H,4-8H2,1-3H3,(H,16,17)
InChIKey
XXYLNGFNUOEMGP-UHFFFAOYSA-N
Compound name
5-(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.1]heptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.14197 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.14925 165.1
[M+Na]+ 294.13119 166.6
[M+NH4]+ 289.17579 169.8
[M+K]+ 310.10513 162.3
[M-H]- 270.13469 156.2
[M+Na-2H]- 292.11664 160.2
[M]+ 271.14142 161.5
[M]- 271.14252 161.5
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.