CID 13712632

1488990-06-2

Structural Information

Molecular Formula
C13H21NO4
SMILES
CC(C)(C)OC(=O)N1C2CCC(C1C(=O)O)CC2
InChI
InChI=1S/C13H21NO4/c1-13(2,3)18-12(17)14-9-6-4-8(5-7-9)10(14)11(15)16/h8-10H,4-7H2,1-3H3,(H,15,16)
InChIKey
RRRWAYWNXBSUFV-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.2]octane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

136
Patents

255.14706 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.15434 162.5
[M+Na]+ 278.13628 165.4
[M-H]- 254.13978 156.0
[M+NH4]+ 273.18088 182.0
[M+K]+ 294.11022 164.6
[M+H-H2O]+ 238.14432 158.5
[M+HCOO]- 300.14526 167.7
[M+CH3COO]- 314.16091 197.7
[M+Na-2H]- 276.12173 169.7
[M]+ 255.14651 164.7
[M]- 255.14761 164.7
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