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 181.8
[M+Na]+ 294.13119 184.9
[M-H]- 270.13469 176.3
[M+NH4]+ 289.17579 196.7
[M+K]+ 310.10513 187.1
[M+H-H2O]+ 254.13923 174.2
[M+HCOO]- 316.14017 186.9
[M+CH3COO]- 330.15582 198.3
[M+Na-2H]- 292.11664 189.1
[M]+ 271.14142 194.2
[M]- 271.14252 194.2
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.