CID 156704513

2386475-28-9

Structural Information

Molecular Formula
C12H19NO5
SMILES
CC(C)(C)OC(=O)N1CC2(CC1(C2)C(=O)O)CO
InChI
InChI=1S/C12H19NO5/c1-10(2,3)18-9(17)13-6-11(7-14)4-12(13,5-11)8(15)16/h14H,4-7H2,1-3H3,(H,15,16)
InChIKey
CUOXOHBPFDXALG-UHFFFAOYSA-N
Compound name
4-(hydroxymethyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.1.1]hexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

257.1263 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.13358 174.4
[M+Na]+ 280.11552 179.0
[M-H]- 256.11902 171.6
[M+NH4]+ 275.16012 192.9
[M+K]+ 296.08946 180.6
[M+H-H2O]+ 240.12356 169.3
[M+HCOO]- 302.12450 184.6
[M+CH3COO]- 316.14015 193.4
[M+Na-2H]- 278.10097 179.2
[M]+ 257.12575 188.7
[M]- 257.12685 188.7
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

patents stripe